5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one

C14H12ClN3O — CID 3021484

IUPAC5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one
SMILESCc1cccc(-n2c(=O)n(C)c3ccc(Cl)cc32)n1
InChIInChI=1S/C14H12ClN3O/c1-9-4-3-5-13(16-9)18-12-8-10(15)6-7-11(12)17(2)14(18)19/h3-8H,1-2H3
InChIKeyHNEUWHGLWGYYIM-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.69
Rot. Bonds1

About 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one

5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one (PubChem CID 3021484) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one
PubChem CID3021484
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one
SMILESCc1cccc(-n2c(=O)n(C)c3ccc(Cl)cc32)n1
InChIInChI=1S/C14H12ClN3O/c1-9-4-3-5-13(16-9)18-12-8-10(15)6-7-11(12)17(2)14(18)19/h3-8H,1-2H3
InChIKeyHNEUWHGLWGYYIM-UHFFFAOYSA-N
XLogP2.69
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one?
The IUPAC name of 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one (CID 3021484) is 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one is Cc1cccc(-n2c(=O)n(C)c3ccc(Cl)cc32)n1.
What is the InChIKey of 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one?
The InChIKey is HNEUWHGLWGYYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-9-4-3-5-13(16-9)18-12-8-10(15)6-7-11(12)17(2)14(18)19/h3-8H,1-2H3.
What are the key properties of 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one?
5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one has a molecular weight of 273.72 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(6-methyl-2-pyridinyl)benzimidazol-2-one is sourced from PubChem (CID 3021484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).