4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide

C21H17ClN4O — CID 46277393

IUPAC4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(-n2cnc3cccnc32)c1
InChIInChI=1S/C21H17ClN4O/c22-17-9-8-16(21(27)24-12-10-15-5-2-1-3-6-15)13-19(17)26-14-25-18-7-4-11-23-20(18)26/h1-9,11,13-14H,10,12H2,(H,24,27)
InChIKeyKZTCYQPIXOCDDY-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.05
Rot. Bonds5

About 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide

4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide (PubChem CID 46277393) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
PubChem CID46277393
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(-n2cnc3cccnc32)c1
InChIInChI=1S/C21H17ClN4O/c22-17-9-8-16(21(27)24-12-10-15-5-2-1-3-6-15)13-19(17)26-14-25-18-7-4-11-23-20(18)26/h1-9,11,13-14H,10,12H2,(H,24,27)
InChIKeyKZTCYQPIXOCDDY-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277387
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
4-chloro-N-[2-(furan-2-yl)ethyl]-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 50758284
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide (CID 46277393) is 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(Cl)c(-n2cnc3cccnc32)c1.
What is the InChIKey of 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide?
The InChIKey is KZTCYQPIXOCDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-17-9-8-16(21(27)24-12-10-15-5-2-1-3-6-15)13-19(17)26-14-25-18-7-4-11-23-20(18)26/h1-9,11,13-14H,10,12H2,(H,24,27).
What are the key properties of 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide?
4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide has a molecular weight of 376.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 46277393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).