4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile

C24H22N4 — CID 19889372

IUPAC4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile
SMILESCCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccncc2C#N)cc1
InChIInChI=1S/C24H22N4/c1-3-5-23-27-24-17(2)6-4-7-22(24)28(23)16-18-8-10-19(11-9-18)21-12-13-26-15-20(21)14-25/h4,6-13,15H,3,5,16H2,1-2H3
InChIKeyUGICJLJYSQOPIQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.28
Rot. Bonds5

About 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile

4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile (PubChem CID 19889372) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile
PubChem CID19889372
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile
SMILESCCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccncc2C#N)cc1
InChIInChI=1S/C24H22N4/c1-3-5-23-27-24-17(2)6-4-7-22(24)28(23)16-18-8-10-19(11-9-18)21-12-13-26-15-20(21)14-25/h4,6-13,15H,3,5,16H2,1-2H3
InChIKeyUGICJLJYSQOPIQ-UHFFFAOYSA-N
XLogP5.28
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-pyridinyl]benzonitrile
CID 19383099
2-[4-[[6-(1,3-dioxoisoindol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 54457601
4-methyl-2-propyl-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 67921412
5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile
CID 67941598
2-[4-[[4-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 11191177
N-[3-[[4-(2-cyanophenyl)phenyl]methyl]-7-methyl-2-propylbenzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 57157802
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]benzimidazole
CID 45488125
N-[4-[4-[(4,6-dimethyl-2-propylbenzimidazol-1-yl)methyl]phenyl]-3-pyridinyl]-1,1,1-trifluoromethanesulfonamide
CID 19889370
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943643
4-methyl-2-propyl-1-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]benzimidazole
CID 19383087
2-[[5-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-phenylphenyl]methyl]propanedioic acid
CID 67878319
(2E)-2-[6-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]propanenitrile
CID 69015807

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile (CID 19889372) is 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile is CCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccncc2C#N)cc1.
What is the InChIKey of 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile?
The InChIKey is UGICJLJYSQOPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-3-5-23-27-24-17(2)6-4-7-22(24)28(23)16-18-8-10-19(11-9-18)21-12-13-26-15-20(21)14-25/h4,6-13,15H,3,5,16H2,1-2H3.
What are the key properties of 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile?
4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 19889372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).