1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone

C15H12ClN3O — CID 71628890

IUPAC1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2cccnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O/c1-10(20)14-18-13-3-2-8-17-15(13)19(14)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3
InChIKeyRRHNGDDMAIFWKX-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.34
Rot. Bonds3

About 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone

1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone (PubChem CID 71628890) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
PubChem CID71628890
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1nc2cccnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O/c1-10(20)14-18-13-3-2-8-17-15(13)19(14)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3
InChIKeyRRHNGDDMAIFWKX-UHFFFAOYSA-N
XLogP3.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
2-(1-chloroethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethanone
CID 11715904
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
CID 70410455
2-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]oxyacetic acid
CID 134170281
3-[3-[(4-bromophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[1-(4-chlorophenyl)ethyl]propanamide
CID 174235379
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
3-[3-[(3,4-difluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485125
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone (CID 71628890) is 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone is CC(=O)c1nc2cccnc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone?
The InChIKey is RRHNGDDMAIFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-10(20)14-18-13-3-2-8-17-15(13)19(14)9-11-4-6-12(16)7-5-11/h2-8H,9H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone?
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone has a molecular weight of 285.73 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 71628890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).