1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine

C29H35N3 — CID 164912050

IUPAC1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
SMILESCCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3c(C)cccc3C)cccc21
InChIInChI=1S/C29H35N3/c1-7-8-19-32-25-14-10-13-24(30-26-20(2)11-9-12-21(26)3)27(25)31-28(32)22-15-17-23(18-16-22)29(4,5)6/h9-18,30H,7-8,19H2,1-6H3
InChIKeyVBNIVCMIOCKRLD-UHFFFAOYSA-N
MW425.62 g/mol
LogP8.16
Rot. Bonds6

About 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine

1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine (PubChem CID 164912050) has the molecular formula C29H35N3 and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
PubChem CID164912050
Molecular FormulaC29H35N3
Molecular Weight425.62 g/mol
Exact Mass425.28
IUPAC Name1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine
SMILESCCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3c(C)cccc3C)cccc21
InChIInChI=1S/C29H35N3/c1-7-8-19-32-25-14-10-13-24(30-26-20(2)11-9-12-21(26)3)27(25)31-28(32)22-15-17-23(18-16-22)29(4,5)6/h9-18,30H,7-8,19H2,1-6H3
InChIKeyVBNIVCMIOCKRLD-UHFFFAOYSA-N
XLogP8.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N,2-dinaphthalen-1-ylbenzimidazol-4-amine
CID 164912077
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
1-butyl-2-(3,6-ditert-butylcarbazol-9-yl)-N-naphthalen-1-ylbenzimidazol-4-amine
CID 164912118
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
1-butyl-2-(3-tert-butyl-6-methylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)benzimidazol-4-amine
CID 164912001
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
1-butyl-N-methyl-2-naphthalen-1-ylbenzimidazol-4-amine
CID 164912027
1-butyl-N-cyclohexyl-2-naphthalen-1-ylbenzimidazol-4-amine
CID 164912080
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
CID 175774431
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine?
The IUPAC name of 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine (CID 164912050) is 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine.
What is the SMILES notation for 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine?
The canonical SMILES for 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine is CCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c(Nc3c(C)cccc3C)cccc21.
What is the InChIKey of 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine?
The InChIKey is VBNIVCMIOCKRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3/c1-7-8-19-32-25-14-10-13-24(30-26-20(2)11-9-12-21(26)3)27(25)31-28(32)22-15-17-23(18-16-22)29(4,5)6/h9-18,30H,7-8,19H2,1-6H3.
What are the key properties of 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine?
1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine has a molecular weight of 425.62 g/mol, XLogP of 8.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)benzimidazol-4-amine is sourced from PubChem (CID 164912050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).