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

C16H17N3O — CID 2868448

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H17N3O/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/b17-16+
InChIKeyWJHNADCWBBZPKD-WUKNDPDISA-N
MW267.33 g/mol
LogP2.19
Rot. Bonds3

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

2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol (PubChem CID 2868448) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol
PubChem CID2868448
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C16H17N3O/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/b17-16+
InChIKeyWJHNADCWBBZPKD-WUKNDPDISA-N
XLogP2.19
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.19
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?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol (CID 2868448) is 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol is [H]/N=c1\n(C)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol?
The InChIKey is WJHNADCWBBZPKD-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17N3O/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/b17-16+.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol?
2-(2-imino-3-methylbenzimidazol-1-yl)-1-phenylethanol has a molecular weight of 267.33 g/mol, XLogP of 2.19, 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 is sourced from PubChem (CID 2868448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).