5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one

C16H15ClN2O — CID 16728447

IUPAC5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(Cn2c(=O)[nH]c3ccc(Cl)cc32)c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-11(2)7-12(6-10)9-19-15-8-13(17)3-4-14(15)18-16(19)20/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyOUYKEKWOQYEPTO-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one

5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 16728447) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID16728447
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1cc(C)cc(Cn2c(=O)[nH]c3ccc(Cl)cc32)c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-11(2)7-12(6-10)9-19-15-8-13(17)3-4-14(15)18-16(19)20/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyOUYKEKWOQYEPTO-UHFFFAOYSA-N
XLogP3.65
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one (CID 16728447) is 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one is Cc1cc(C)cc(Cn2c(=O)[nH]c3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is OUYKEKWOQYEPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-5-11(2)7-12(6-10)9-19-15-8-13(17)3-4-14(15)18-16(19)20/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one?
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 16728447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).