3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one

C14H13N3O — CID 150942006

IUPAC3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3ccccc32)c(C)n1
InChIInChI=1S/C14H13N3O/c1-9-7-8-12(10(2)15-9)17-13-6-4-3-5-11(13)16-14(17)18/h3-8H,1-2H3,(H,16,18)
InChIKeyLIGHIQNPZVCXKA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds1

About 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one

3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one (PubChem CID 150942006) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
PubChem CID150942006
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
SMILESCc1ccc(-n2c(=O)[nH]c3ccccc32)c(C)n1
InChIInChI=1S/C14H13N3O/c1-9-7-8-12(10(2)15-9)17-13-6-4-3-5-11(13)16-14(17)18/h3-8H,1-2H3,(H,16,18)
InChIKeyLIGHIQNPZVCXKA-UHFFFAOYSA-N
XLogP2.33
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82514443
3-quinolin-5-yl-1H-benzimidazol-2-one
CID 146175427
3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 10198876
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
CID 174749745
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile
CID 69445541
3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-benzimidazol-2-one
CID 151138139
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501
4-methyl-3-(2-methylphenyl)-1H-benzimidazol-2-one
CID 117209197
3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one
CID 19867709
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820
3-(6-propan-2-yl-3-pyridinyl)-1H-benzimidazol-2-one
CID 171746097

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one (CID 150942006) is 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one is Cc1ccc(-n2c(=O)[nH]c3ccccc32)c(C)n1.
What is the InChIKey of 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one?
The InChIKey is LIGHIQNPZVCXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-7-8-12(10(2)15-9)17-13-6-4-3-5-11(13)16-14(17)18/h3-8H,1-2H3,(H,16,18).
What are the key properties of 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one?
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one has a molecular weight of 239.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 150942006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).