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

C14H11ClN2O — CID 4681038

IUPAC3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c15-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)16-14(17)18/h1-8H,9H2,(H,16,18)
InChIKeyKAVIELWLXMKZMP-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.03
Rot. Bonds2

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

3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 4681038) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
PubChem CID4681038
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O/c15-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)16-14(17)18/h1-8H,9H2,(H,16,18)
InChIKeyKAVIELWLXMKZMP-UHFFFAOYSA-N
XLogP3.03
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]methanesulfonamide
CID 163926569
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
3-(1,3-benzodioxol-5-ylmethyl)-1H-benzimidazol-2-one
CID 57250326
N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
CID 166828677
5-chloro-3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208257
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
3-[(2-chloropyrimidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 163553194
3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
CID 70551057

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one (CID 4681038) is 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is KAVIELWLXMKZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-7-5-10(6-8-11)9-17-13-4-2-1-3-12(13)16-14(17)18/h1-8H,9H2,(H,16,18).
What are the key properties of 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one?
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 4681038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).