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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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).