2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride

C20H20ClN3O — CID 2868411

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O.ClH/c1-22-17-11-4-5-12-18(17)23(20(22)21)13-19(24)16-10-6-8-14-7-2-3-9-15(14)16;/h2-12,19,21,24H,13H2,1H3;1H/b21-20+;
InChIKeyFTHJUOJQBVSCFY-ANVLNOONSA-N
MW353.85 g/mol
LogP3.77
Rot. Bonds3

About 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride

2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride (PubChem CID 2868411) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride
PubChem CID2868411
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O.ClH/c1-22-17-11-4-5-12-18(17)23(20(22)21)13-19(24)16-10-6-8-14-7-2-3-9-15(14)16;/h2-12,19,21,24H,13H2,1H3;1H/b21-20+;
InChIKeyFTHJUOJQBVSCFY-ANVLNOONSA-N
XLogP3.77
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-1-p-tolyl-ethanol
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1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanol hydrochloride
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2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-phenylethanol hydrochloride
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2-(2H-benzo[d]imidazo[1,2-a]imidazol-9(3H)-yl)-1-(p-tolyl)ethanol hydrochloride
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CID 151066574
2-(3-butyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-phenylethanol hydrochloride
CID 16189491
1-(3,4-Dichlorophenyl)-2-[2-imino-3-[(2-methylphenyl)methyl]benzimidazol-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride (CID 2868411) is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride is Cl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1cccc2ccccc12.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride?
The InChIKey is FTHJUOJQBVSCFY-ANVLNOONSA-N. The full InChI is InChI=1S/C20H19N3O.ClH/c1-22-17-11-4-5-12-18(17)23(20(22)21)13-19(24)16-10-6-8-14-7-2-3-9-15(14)16;/h2-12,19,21,24H,13H2,1H3;1H/b21-20+;.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride?
2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-naphthalen-1-ylethanol;hydrochloride is sourced from PubChem (CID 2868411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).