1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole

C26H26N2 — CID 16999559

IUPAC1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCCC(C)c1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2/c1-3-20(2)23-16-13-22(14-17-23)19-28-25-12-8-7-11-24(25)27-26(28)18-15-21-9-5-4-6-10-21/h4-18,20H,3,19H2,1-2H3/b18-15+
InChIKeyXSNIYUMJUKROAU-OBGWFSINSA-N
MW366.51 g/mol
LogP6.77
Rot. Bonds6

About 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole

1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole (PubChem CID 16999559) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
PubChem CID16999559
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
SMILESCCC(C)c1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2/c1-3-20(2)23-16-13-22(14-17-23)19-28-25-12-8-7-11-24(25)27-26(28)18-15-21-9-5-4-6-10-21/h4-18,20H,3,19H2,1-2H3/b18-15+
InChIKeyXSNIYUMJUKROAU-OBGWFSINSA-N
XLogP6.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
(Z)-N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 16986158
1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
CID 17000154
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
1-[(2,6-dichlorophenyl)methyl]-2-(2-phenylethenyl)benzimidazole
CID 2768870
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40841199
1-[(4-butan-2-ylphenyl)methyl]-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998333

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole (CID 16999559) is 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole is CCC(C)c1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
The InChIKey is XSNIYUMJUKROAU-OBGWFSINSA-N. The full InChI is InChI=1S/C26H26N2/c1-3-20(2)23-16-13-22(14-17-23)19-28-25-12-8-7-11-24(25)27-26(28)18-15-21-9-5-4-6-10-21/h4-18,20H,3,19H2,1-2H3/b18-15+.
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole?
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole has a molecular weight of 366.51 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole is sourced from PubChem (CID 16999559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).