5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole

C35H28N2 — CID 139202619

IUPAC5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)[nH]c2cc1C
InChIInChI=1S/C35H28N2/c1-24-22-31-32(23-25(24)2)37-35(36-31)30-20-18-29(19-21-30)34(28-16-10-5-11-17-28)33(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-23H,1-2H3,(H,36,37)
InChIKeyXHYDAKVSBKNOIO-UHFFFAOYSA-N
MW476.62 g/mol
LogP8.85
Rot. Bonds5

About 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole

5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole (PubChem CID 139202619) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
PubChem CID139202619
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Name5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)[nH]c2cc1C
InChIInChI=1S/C35H28N2/c1-24-22-31-32(23-25(24)2)37-35(36-31)30-20-18-29(19-21-30)34(28-16-10-5-11-17-28)33(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-23H,1-2H3,(H,36,37)
InChIKeyXHYDAKVSBKNOIO-UHFFFAOYSA-N
XLogP8.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
CID 110535345
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole (CID 139202619) is 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole is Cc1cc2nc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole?
The InChIKey is XHYDAKVSBKNOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2/c1-24-22-31-32(23-25(24)2)37-35(36-31)30-20-18-29(19-21-30)34(28-16-10-5-11-17-28)33(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-23H,1-2H3,(H,36,37).
What are the key properties of 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole?
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole has a molecular weight of 476.62 g/mol, XLogP of 8.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 139202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).