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

C14H12N4O — CID 53145213

IUPAC3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1
InChIInChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,8H2,(H,16,17)
InChIKeyHBFOGCOSIMHWSU-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.48
Rot. Bonds1

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

3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile (PubChem CID 53145213) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
PubChem CID53145213
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1
InChIInChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,8H2,(H,16,17)
InChIKeyHBFOGCOSIMHWSU-UHFFFAOYSA-N
XLogP1.48
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)benzonitrile
CID 72719384
3-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 77089409
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
CID 72916286
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
3-(8-amino-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 114523287
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
(4-hydroxy-1-benzothiophen-6-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 167802043
formic acid;3-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]benzonitrile
CID 166599653

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile?
The IUPAC name of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile (CID 53145213) is 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile.
What is the SMILES notation for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile?
The canonical SMILES for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1.
What is the InChIKey of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile?
The InChIKey is HBFOGCOSIMHWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-7-10-2-1-3-11(6-10)14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,8H2,(H,16,17).
What are the key properties of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile?
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzonitrile is sourced from PubChem (CID 53145213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).