5818 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 17 17 7 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 6 6 7 8 8 9 10 20 21 7 10 15 8 18 19 9 10 7 8 11 12 9 13 14 16 17 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 2.1568 2.1568 3.915 0.4608 4.415 2.155 3.106 1.4118 3.415 4.724 1.6664 2.446 1.9004 1.1207 3.915 3.0506 5.3137 0 0.3318 3.1568 3.1568 0 2.5 5.62 6.2589 7.1588 5.8988 6.2078 6.5679 7.1588 6.2078 5.5171 5.3513 6.9496 7.1153 5 7.6604 6.0162 6.6737 5.6524 0 2.5 8 8 8 8 8 3 3 5 5 7 7 10 9 10 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0630000060000000000000000000000000160000000000000000000000000018000001C00100000000808C116042D9016C99000A0011467640000802DB112A001518038700880680040C9011400000810024040200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1<I>H</I>-imidazol-5-yl)ethanamine;dihydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-imidazol-5-yl)ethanamine;dihydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(1H-imidazol-5-yl)ethylamine;dihydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PPZMYIBUHIPZOS-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 183.0330028 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H11Cl2N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 184.06 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(NC=N1)CCN.Cl.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(NC=N1)CCN.Cl.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 183.0330028 10 0 0 0 0 0 0 0 3 -1