2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile

C34H28N6 — CID 68741725

IUPAC2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)c(C#N)c1
InChIInChI=1S/C34H28N6/c1-4-9-32-38-33-22(2)16-25(34-37-29-12-7-8-13-30(29)39(34)3)18-31(33)40(32)21-23-14-15-28(26(17-23)20-36)27-11-6-5-10-24(27)19-35/h5-8,10-18H,4,9,21H2,1-3H3
InChIKeyIJTPEYMBGYLEFV-UHFFFAOYSA-N
MW520.64 g/mol
LogP7.31
Rot. Bonds6

About 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile

2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile (PubChem CID 68741725) has the molecular formula C34H28N6 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile
PubChem CID68741725
Molecular FormulaC34H28N6
Molecular Weight520.64 g/mol
Exact Mass520.24
IUPAC Name2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)c(C#N)c1
InChIInChI=1S/C34H28N6/c1-4-9-32-38-33-22(2)16-25(34-37-29-12-7-8-13-30(29)39(34)3)18-31(33)40(32)21-23-14-15-28(26(17-23)20-36)27-11-6-5-10-24(27)19-35/h5-8,10-18H,4,9,21H2,1-3H3
InChIKeyIJTPEYMBGYLEFV-UHFFFAOYSA-N
XLogP7.31
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile 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

2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzaldehyde
CID 15295804
1-[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]phenyl]ethanone
CID 59256856
1-ethyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 143854149
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;hydrobromide
CID 11956639
2-[4-[[2-ethyl-6-(5-fluoro-1-methylbenzimidazol-2-yl)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19964827
CID 174855480
CID 174855480
2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;oxalic acid
CID 68847152
5-[[6-(1-benzyl-5-bromobenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]-2-phenylbenzonitrile
CID 174463529
tert-butyl [2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]phenyl] carbonate
CID 69115483
(Z)-but-2-enedioic acid;bis(2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid)
CID 24824101
phenyl 3-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]prop-2-ynoate
CID 68991535
2-[4-[[4-methyl-6-(5-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 11191177

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile (CID 68741725) is 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C#N)c(C#N)c1.
What is the InChIKey of 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is IJTPEYMBGYLEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6/c1-4-9-32-38-33-22(2)16-25(34-37-29-12-7-8-13-30(29)39(34)3)18-31(33)40(32)21-23-14-15-28(26(17-23)20-36)27-11-6-5-10-24(27)19-35/h5-8,10-18H,4,9,21H2,1-3H3.
What are the key properties of 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile?
2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 520.64 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 68741725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).