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

C17H17ClN2O — CID 46308322

IUPAC1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3n2CC(C)O)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-3-5-13(8-11)17-19-15-7-6-14(18)9-16(15)20(17)10-12(2)21/h3-9,12,21H,10H2,1-2H3
InChIKeyBIQHGCPSNDGJDS-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.05
Rot. Bonds3

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

1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 46308322) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
PubChem CID46308322
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(-c2nc3ccc(Cl)cc3n2CC(C)O)c1
InChIInChI=1S/C17H17ClN2O/c1-11-4-3-5-13(8-11)17-19-15-7-6-14(18)9-16(15)20(17)10-12(2)21/h3-9,12,21H,10H2,1-2H3
InChIKeyBIQHGCPSNDGJDS-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol (CID 46308322) is 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol is Cc1cccc(-c2nc3ccc(Cl)cc3n2CC(C)O)c1.
What is the InChIKey of 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is BIQHGCPSNDGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-4-3-5-13(8-11)17-19-15-7-6-14(18)9-16(15)20(17)10-12(2)21/h3-9,12,21H,10H2,1-2H3.
What are the key properties of 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol?
1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 300.79 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 46308322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).