2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole

C29H24N2 — CID 16987231

IUPAC2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H24N2/c1-4-13-23(14-5-1)15-12-22-31-27-21-11-10-20-26(27)30-29(31)28(24-16-6-2-7-17-24)25-18-8-3-9-19-25/h1-21,28H,22H2/b15-12+
InChIKeyUGFAEJMEWSRQNZ-NTCAYCPXSA-N
MW400.53 g/mol
LogP6.93
Rot. Bonds6

About 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole

2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 16987231) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID16987231
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C29H24N2/c1-4-13-23(14-5-1)15-12-22-31-27-21-11-10-20-26(27)30-29(31)28(24-16-6-2-7-17-24)25-18-8-3-9-19-25/h1-21,28H,22H2/b15-12+
InChIKeyUGFAEJMEWSRQNZ-NTCAYCPXSA-N
XLogP6.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
CID 40592569
2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969986
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16995564
1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
CID 16996768
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
2-(4-chlorophenyl)-N-[1-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973036
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 16987231) is 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole is C(=C/c1ccccc1)\Cn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is UGFAEJMEWSRQNZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C29H24N2/c1-4-13-23(14-5-1)15-12-22-31-27-21-11-10-20-26(27)30-29(31)28(24-16-6-2-7-17-24)25-18-8-3-9-19-25/h1-21,28H,22H2/b15-12+.
What are the key properties of 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 400.53 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 16987231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).