3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one

C15H13ClN2O2 — CID 117207544

IUPAC3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(19)18(14)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyNNTFWVFQGGNIRT-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.04
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one

3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one (PubChem CID 117207544) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
PubChem CID117207544
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(19)18(14)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyNNTFWVFQGGNIRT-UHFFFAOYSA-N
XLogP3.04
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one (CID 117207544) is 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is NNTFWVFQGGNIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(19)18(14)9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one?
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 288.73 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117207544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).