1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole

C22H20N2 — CID 59307444

IUPAC1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
SMILESC=Cc1ccc(-c2cccc(N3CN(C)c4ccccc43)c2)cc1
InChIInChI=1S/C22H20N2/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24/h3-15H,1,16H2,2H3
InChIKeyQFBFASWCRMWXMF-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.54
Rot. Bonds3

About 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole

1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole (PubChem CID 59307444) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole.

Molecular Properties

Compound Name1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
PubChem CID59307444
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole
SMILESC=Cc1ccc(-c2cccc(N3CN(C)c4ccccc43)c2)cc1
InChIInChI=1S/C22H20N2/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24/h3-15H,1,16H2,2H3
InChIKeyQFBFASWCRMWXMF-UHFFFAOYSA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]methyl-diphenylphosphane
CID 58978612
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
CID 160647587
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
2-ethenyl-5,10-dimethylphenazine
CID 22055360
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
CID 23574112
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
9-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-7-(1-methyl-5-phenylbenzimidazol-2-yl)pyrido[2,3-b]indole
CID 153285387
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzo[e]benzimidazole
CID 164731879
1-methyl-3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazole
CID 164730507

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole?
The IUPAC name of 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole (CID 59307444) is 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole.
What is the SMILES notation for 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole?
The canonical SMILES for 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole is C=Cc1ccc(-c2cccc(N3CN(C)c4ccccc43)c2)cc1.
What is the InChIKey of 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole?
The InChIKey is QFBFASWCRMWXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-17-11-13-18(14-12-17)19-7-6-8-20(15-19)24-16-23(2)21-9-4-5-10-22(21)24/h3-15H,1,16H2,2H3.
What are the key properties of 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole?
1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethenylphenyl)phenyl]-3-methyl-2H-benzimidazole is sourced from PubChem (CID 59307444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).