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

C23H20N2 — CID 16995564

IUPAC2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H20N2/c1-3-10-19(11-4-1)14-9-17-25-22-16-8-7-15-21(22)24-23(25)18-20-12-5-2-6-13-20/h1-16H,17-18H2/b14-9+
InChIKeyHFABISNSPDXBLJ-NTEUORMPSA-N
MW324.43 g/mol
LogP5.34
Rot. Bonds5

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

2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 16995564) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID16995564
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H20N2/c1-3-10-19(11-4-1)14-9-17-25-22-16-8-7-15-21(22)24-23(25)18-20-12-5-2-6-13-20/h1-16H,17-18H2/b14-9+
InChIKeyHFABISNSPDXBLJ-NTEUORMPSA-N
XLogP5.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384
1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
CID 16996768
3-phenyl-N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16986040
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16980700

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 16995564) is 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole is C(=C/c1ccccc1)\Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is HFABISNSPDXBLJ-NTEUORMPSA-N. The full InChI is InChI=1S/C23H20N2/c1-3-10-19(11-4-1)14-9-17-25-22-16-8-7-15-21(22)24-23(25)18-20-12-5-2-6-13-20/h1-16H,17-18H2/b14-9+.
What are the key properties of 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 324.43 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 16995564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).