2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole

C24H24N2 — CID 70368929

IUPAC2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
SMILESCCC(C)c1nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2/c1-3-18(2)24-25-22-11-7-8-12-23(22)26(24)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3
InChIKeyRFOCWJGZJWOSKC-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.27
Rot. Bonds5

About 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole

2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole (PubChem CID 70368929) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
PubChem CID70368929
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
SMILESCCC(C)c1nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N2/c1-3-18(2)24-25-22-11-7-8-12-23(22)26(24)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3
InChIKeyRFOCWJGZJWOSKC-UHFFFAOYSA-N
XLogP6.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
4-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]benzoic acid
CID 94723430
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-(2-butan-2-ylbenzimidazol-1-yl)-3-[(4-methylphenyl)methoxy]propan-2-ol
CID 138960839
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole?
The IUPAC name of 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole (CID 70368929) is 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole is CCC(C)c1nc2ccccc2n1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole?
The InChIKey is RFOCWJGZJWOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-3-18(2)24-25-22-11-7-8-12-23(22)26(24)17-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,18H,3,17H2,1-2H3.
What are the key properties of 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole?
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole has a molecular weight of 340.47 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole is sourced from PubChem (CID 70368929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).