4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile

C22H22N6O — CID 18334725

IUPAC4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(CC3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H22N6O/c23-10-3-4-12-26-18-6-2-1-5-17(18)25-21(26)15-28-20-13-24-11-9-19(20)27(22(28)29)14-16-7-8-16/h1-2,5-6,9,11,13,16H,3-4,7-8,12,14-15H2
InChIKeyRXRAJRFLQDSYQR-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.31
Rot. Bonds7

About 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile

4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile (PubChem CID 18334725) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
PubChem CID18334725
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(CC3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H22N6O/c23-10-3-4-12-26-18-6-2-1-5-17(18)25-21(26)15-28-20-13-24-11-9-19(20)27(22(28)29)14-16-7-8-16/h1-2,5-6,9,11,13,16H,3-4,7-8,12,14-15H2
InChIKeyRXRAJRFLQDSYQR-UHFFFAOYSA-N
XLogP3.31
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile with MolForge

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Related Compounds

1-Cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 6478034
T-808
CID 53339381
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
3-[[5-Chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956495
1-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one
CID 15956496
1-[[1-[3-(Dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956498
1-Imidazol-1-yl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 726769
Bms 433771
CID 500516
(2E)-2-(1-methylbenzimidazol-2-yl)-3-(4-pyridyl)prop-2-enenitrile
CID 5710577
4-[2-[(2-Oxo-3-prop-1-en-2-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 9951365
(E)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 10620326

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile?
The IUPAC name of 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile (CID 18334725) is 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile.
What is the SMILES notation for 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile?
The canonical SMILES for 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile is N#CCCCn1c(Cn2c(=O)n(CC3CC3)c3ccncc32)nc2ccccc21.
What is the InChIKey of 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile?
The InChIKey is RXRAJRFLQDSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-10-3-4-12-26-18-6-2-1-5-17(18)25-21(26)15-28-20-13-24-11-9-19(20)27(22(28)29)14-16-7-8-16/h1-2,5-6,9,11,13,16H,3-4,7-8,12,14-15H2.
What are the key properties of 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile?
4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile has a molecular weight of 386.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile is sourced from PubChem (CID 18334725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).