3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

C18H19ClN2O — CID 94756196

IUPAC3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(-c3cccc(Cl)c3)n(CCCO)c2cc1C
InChIInChI=1S/C18H19ClN2O/c1-12-9-16-17(10-13(12)2)21(7-4-8-22)18(20-16)14-5-3-6-15(19)11-14/h3,5-6,9-11,22H,4,7-8H2,1-2H3
InChIKeyUMLDRNGPLCVAFD-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.36
Rot. Bonds4

About 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol

3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (PubChem CID 94756196) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
PubChem CID94756196
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
SMILESCc1cc2nc(-c3cccc(Cl)c3)n(CCCO)c2cc1C
InChIInChI=1S/C18H19ClN2O/c1-12-9-16-17(10-13(12)2)21(7-4-8-22)18(20-16)14-5-3-6-15(19)11-14/h3,5-6,9-11,22H,4,7-8H2,1-2H3
InChIKeyUMLDRNGPLCVAFD-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol (CID 94756196) is 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is Cc1cc2nc(-c3cccc(Cl)c3)n(CCCO)c2cc1C.
What is the InChIKey of 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
The InChIKey is UMLDRNGPLCVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12-9-16-17(10-13(12)2)21(7-4-8-22)18(20-16)14-5-3-6-15(19)11-14/h3,5-6,9-11,22H,4,7-8H2,1-2H3.
What are the key properties of 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol?
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol has a molecular weight of 314.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 94756196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).