3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one

C20H20ClN3O — CID 158289873

IUPAC3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one
SMILESO=C(CCc1ccccc1Cl)c1nccc2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C20H20ClN3O/c21-15-8-4-3-5-13(15)9-10-17(25)19-18-16(11-12-22-19)23-20(24-18)14-6-1-2-7-14/h3-5,8,11-12,14H,1-2,6-7,9-10H2,(H,23,24)
InChIKeyGLFLUNZOLXOVLI-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.08
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one

3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one (PubChem CID 158289873) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one
PubChem CID158289873
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one
SMILESO=C(CCc1ccccc1Cl)c1nccc2[nH]c(C3CCCC3)nc12
InChIInChI=1S/C20H20ClN3O/c21-15-8-4-3-5-13(15)9-10-17(25)19-18-16(11-12-22-19)23-20(24-18)14-6-1-2-7-14/h3-5,8,11-12,14H,1-2,6-7,9-10H2,(H,23,24)
InChIKeyGLFLUNZOLXOVLI-UHFFFAOYSA-N
XLogP5.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-cyclopentyl-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 139327218
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
3-(2-chlorophenyl)-1-pyrrolidin-2-ylpropan-1-one
CID 82292099
3-[2-[3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenyl]propanoic acid
CID 167686172
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
sodium 4-(2-chlorophenyl)-2-oxobutanoate
CID 168859425
3-[5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-chlorophenyl]propanoic acid
CID 18405382
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one (CID 158289873) is 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one is O=C(CCc1ccccc1Cl)c1nccc2[nH]c(C3CCCC3)nc12.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one?
The InChIKey is GLFLUNZOLXOVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-15-8-4-3-5-13(15)9-10-17(25)19-18-16(11-12-22-19)23-20(24-18)14-6-1-2-7-14/h3-5,8,11-12,14H,1-2,6-7,9-10H2,(H,23,24).
What are the key properties of 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one?
3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one has a molecular weight of 353.85 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2-cyclopentyl-1H-imidazo[4,5-c]pyridin-4-yl)propan-1-one is sourced from PubChem (CID 158289873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).