1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole

C26H22N2 — CID 58281398

IUPAC1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
SMILESc1ccc(Cc2ccccc2N2CN(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N2/c1-3-11-21(12-4-1)19-22-13-7-8-16-24(22)28-20-27(23-14-5-2-6-15-23)25-17-9-10-18-26(25)28/h1-18H,19-20H2
InChIKeyMHKXXAODPNZLPR-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.52
Rot. Bonds4

About 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole

1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole (PubChem CID 58281398) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
PubChem CID58281398
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
SMILESc1ccc(Cc2ccccc2N2CN(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N2/c1-3-11-21(12-4-1)19-22-13-7-8-16-24(22)28-20-27(23-14-5-2-6-15-23)25-17-9-10-18-26(25)28/h1-18H,19-20H2
InChIKeyMHKXXAODPNZLPR-UHFFFAOYSA-N
XLogP6.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzylphenyl)-1,3-diazinan-2-one
CID 115370897
1-(2-benzylphenyl)-2,5-dimethylpyrrole
CID 15643956
1-(2-benzylphenyl)-2,3-dihydropyrrole
CID 162399358
1-(2-benzylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509240
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
CID 155622082
1,3-diphenyl-2H-benzimidazole;bis(4-ethenyl-3-phenyl-1,2-dihydroimidazole)
CID 159936724
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
CID 93330810
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
1-(4-benzyl-3-pyrrolidin-1-ylphenyl)azepane
CID 132507464
phenyl(113C)methylbenzene
CID 11194569
9-(3-phenyl-2H-benzimidazol-1-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164796027

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole?
The IUPAC name of 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole (CID 58281398) is 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole.
What is the SMILES notation for 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole?
The canonical SMILES for 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole is c1ccc(Cc2ccccc2N2CN(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole?
The InChIKey is MHKXXAODPNZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-3-11-21(12-4-1)19-22-13-7-8-16-24(22)28-20-27(23-14-5-2-6-15-23)25-17-9-10-18-26(25)28/h1-18H,19-20H2.
What are the key properties of 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole?
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole has a molecular weight of 362.48 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole is sourced from PubChem (CID 58281398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).