5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one

C13H15ClN2O — CID 167596718

IUPAC5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1c(C)nc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O/c1-9(17)4-3-7-16-10(2)15-12-8-11(14)5-6-13(12)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeySGLBWPJZVIGNRK-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.37
Rot. Bonds4

About 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one

5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one (PubChem CID 167596718) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
PubChem CID167596718
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1c(C)nc2cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2O/c1-9(17)4-3-7-16-10(2)15-12-8-11(14)5-6-13(12)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeySGLBWPJZVIGNRK-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one?
The IUPAC name of 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one (CID 167596718) is 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one?
The canonical SMILES for 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one is CC(=O)CCCn1c(C)nc2cc(Cl)ccc21.
What is the InChIKey of 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one?
The InChIKey is SGLBWPJZVIGNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9(17)4-3-7-16-10(2)15-12-8-11(14)5-6-13(12)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one?
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one has a molecular weight of 250.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one is sourced from PubChem (CID 167596718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).