3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile

C20H15ClN4O — CID 77089409

IUPAC3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)c1
InChIInChI=1S/C20H15ClN4O/c21-16-6-4-14(5-7-16)19-23-17-8-9-25(12-18(17)24-19)20(26)15-3-1-2-13(10-15)11-22/h1-7,10H,8-9,12H2,(H,23,24)
InChIKeyFDOKOGBPNAUEJW-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.80
Rot. Bonds2

About 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile

3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile (PubChem CID 77089409) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
PubChem CID77089409
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)c1
InChIInChI=1S/C20H15ClN4O/c21-16-6-4-14(5-7-16)19-23-17-8-9-25(12-18(17)24-19)20(26)15-3-1-2-13(10-15)11-22/h1-7,10H,8-9,12H2,(H,23,24)
InChIKeyFDOKOGBPNAUEJW-UHFFFAOYSA-N
XLogP3.80
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
CID 53145213
5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one
CID 77090493
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 99931364
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 77091830
3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 72719384
[(1S,3R)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 77082228
[(1R,3S)-3-aminocyclopentyl]-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 133135286
pyridin-4-yl-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 77085984
4-[5-(6-aminopyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91782580
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 133128264
3-(4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 5260847
1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 72895390

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile?
The IUPAC name of 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile (CID 77089409) is 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile?
The canonical SMILES for 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)c1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile?
The InChIKey is FDOKOGBPNAUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-16-6-4-14(5-7-16)19-23-17-8-9-25(12-18(17)24-19)20(26)15-3-1-2-13(10-15)11-22/h1-7,10H,8-9,12H2,(H,23,24).
What are the key properties of 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile?
3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile has a molecular weight of 362.82 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile is sourced from PubChem (CID 77089409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).