3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile

C21H15N3 — CID 5056759

IUPAC3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)cc(-c2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C21H15N3/c22-13-17-16(14-10-11-14)12-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)23-21(17)24/h1-9,12,14H,10-11H2
InChIKeyDBWOUZUGUHDRBC-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.90
Rot. Bonds2

About 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile

3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 5056759) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID5056759
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)cc(-c2ccccc2)n2c1nc1ccccc12
InChIInChI=1S/C21H15N3/c22-13-17-16(14-10-11-14)12-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)23-21(17)24/h1-9,12,14H,10-11H2
InChIKeyDBWOUZUGUHDRBC-UHFFFAOYSA-N
XLogP4.90
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6028558
6-phenylbenzimidazolo[2,1-a]isoquinoline-3-carbonitrile
CID 71560265
ethyl 4-cyano-1-phenylpyrido[1,2-a]benzimidazole-3-carboxylate
CID 122225994
(9R)-9-methyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 99805305
(9S)-9-methyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 99805306
(9S)-9-ethyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 99805316
1-(3-fluorophenyl)-3-(furan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3903327
1-iodo-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 88919839
1-(4-bromophenyl)-3-[2-(2,6-dichlorophenyl)ethenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3888663
3-[(E)-2-(4-tert-butylphenyl)ethenyl]-1-(4-methylphenyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 6035316
16-piperazin-1-yl-13-oxa-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 71274908
(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135496360

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 5056759) is 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is N#Cc1c(C2CC2)cc(-c2ccccc2)n2c1nc1ccccc12.
What is the InChIKey of 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is DBWOUZUGUHDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c22-13-17-16(14-10-11-14)12-20(15-6-2-1-3-7-15)24-19-9-5-4-8-18(19)23-21(17)24/h1-9,12,14H,10-11H2.
What are the key properties of 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 5056759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).