2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride

C16H18ClN3O — CID 2868447

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,15,17,20H,11H2,1H3;1H/b17-16+;
InChIKeyHCNQBZHRDXASSA-CMBBICFISA-N
MW303.79 g/mol
LogP2.61
Rot. Bonds3

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

2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride (PubChem CID 2868447) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride
PubChem CID2868447
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride
SMILESCl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,15,17,20H,11H2,1H3;1H/b17-16+;
InChIKeyHCNQBZHRDXASSA-CMBBICFISA-N
XLogP2.61
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride (CID 2868447) is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride is Cl.[H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
The InChIKey is HCNQBZHRDXASSA-CMBBICFISA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c1-18-13-9-5-6-10-14(13)19(16(18)17)11-15(20)12-7-3-2-4-8-12;/h2-10,15,17,20H,11H2,1H3;1H/b17-16+;.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.61, 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-phenylethanol;hydrochloride is sourced from PubChem (CID 2868447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).