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

C15H13ClN2O2 — CID 117209103

IUPAC3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H13ClN2O2/c1-20-13-4-2-3-12-14(13)18(15(19)17-12)9-10-5-7-11(16)8-6-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyIJZSUCUFVBKVQJ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.04
Rot. Bonds3

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

3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one (PubChem CID 117209103) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
PubChem CID117209103
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c12
InChIInChI=1S/C15H13ClN2O2/c1-20-13-4-2-3-12-14(13)18(15(19)17-12)9-10-5-7-11(16)8-6-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyIJZSUCUFVBKVQJ-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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Related Compounds

3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
CID 70179521

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one (CID 117209103) is 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one is COc1cccc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c12.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one?
The InChIKey is IJZSUCUFVBKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-20-13-4-2-3-12-14(13)18(15(19)17-12)9-10-5-7-11(16)8-6-10/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one?
3-[(4-chlorophenyl)methyl]-4-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]-4-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117209103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).