3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol

C17H17ClN2O — CID 46308458

IUPAC3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3n2CCCO)c1
InChIInChI=1S/C17H17ClN2O/c1-12-4-2-5-13(10-12)17-19-15-7-6-14(18)11-16(15)20(17)8-3-9-21/h2,4-7,10-11,21H,3,8-9H2,1H3
InChIKeyRNAGNUZDGHKGNK-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.05
Rot. Bonds4

About 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol

3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 46308458) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
PubChem CID46308458
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3n2CCCO)c1
InChIInChI=1S/C17H17ClN2O/c1-12-4-2-5-13(10-12)17-19-15-7-6-14(18)11-16(15)20(17)8-3-9-21/h2,4-7,10-11,21H,3,8-9H2,1H3
InChIKeyRNAGNUZDGHKGNK-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol (CID 46308458) is 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol is Cc1cccc(-c2nc3ccc(Cl)cc3n2CCCO)c1.
What is the InChIKey of 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is RNAGNUZDGHKGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12-4-2-5-13(10-12)17-19-15-7-6-14(18)11-16(15)20(17)8-3-9-21/h2,4-7,10-11,21H,3,8-9H2,1H3.
What are the key properties of 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol?
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 300.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).