2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole

C28H22N4 — CID 143742531

IUPAC2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2cccc3c2nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C28H22N4/c1-19-29-25-12-6-7-13-26(25)31(19)23-17-15-21(16-18-23)24-11-8-14-27-28(24)30-20(2)32(27)22-9-4-3-5-10-22/h3-18H,1-2H3
InChIKeyBGDHMWOYUOALFZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.65
Rot. Bonds3

About 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole

2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 143742531) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
PubChem CID143742531
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC Name2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2cccc3c2nc(C)n3-c2ccccc2)cc1
InChIInChI=1S/C28H22N4/c1-19-29-25-12-6-7-13-26(25)31(19)23-17-15-21(16-18-23)24-11-8-14-27-28(24)30-20(2)32(27)22-9-4-3-5-10-22/h3-18H,1-2H3
InChIKeyBGDHMWOYUOALFZ-UHFFFAOYSA-N
XLogP6.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole (CID 143742531) is 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2cccc3c2nc(C)n3-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is BGDHMWOYUOALFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-19-29-25-12-6-7-13-26(25)31(19)23-17-15-21(16-18-23)24-11-8-14-27-28(24)30-20(2)32(27)22-9-4-3-5-10-22/h3-18H,1-2H3.
What are the key properties of 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole?
2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 414.51 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 143742531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).