2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine

C33H35N3 — CID 70368542

IUPAC2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine
SMILESCCCCc1nc2ccc(NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C33H35N3/c1-3-4-14-33-35-31-20-19-29(34-22-21-26-11-6-5-7-12-26)23-32(31)36(33)24-27-15-17-28(18-16-27)30-13-9-8-10-25(30)2/h5-13,15-20,23,34H,3-4,14,21-22,24H2,1-2H3
InChIKeyKCQBNKAOFAZHBW-UHFFFAOYSA-N
MW473.66 g/mol
LogP8.06
Rot. Bonds10

About 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine

2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine (PubChem CID 70368542) has the molecular formula C33H35N3 and a molecular weight of 473.66 g/mol. Its IUPAC name is 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine
PubChem CID70368542
Molecular FormulaC33H35N3
Molecular Weight473.66 g/mol
Exact Mass473.28
IUPAC Name2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine
SMILESCCCCc1nc2ccc(NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C33H35N3/c1-3-4-14-33-35-31-20-19-29(34-22-21-26-11-6-5-7-12-26)23-32(31)36(33)24-27-15-17-28(18-16-27)30-13-9-8-10-25(30)2/h5-13,15-20,23,34H,3-4,14,21-22,24H2,1-2H3
InChIKeyKCQBNKAOFAZHBW-UHFFFAOYSA-N
XLogP8.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-butyl-6-[(4-methylphenyl)sulfonylmethylamino]benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 21479243
tert-butyl 2-[4-[[2-butyl-6-(2-cyclohexylethylamino)benzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572787
[2-[4-[[2-butyl-6-[[2-(butylamino)-2-oxoethyl]amino]benzimidazol-1-yl]methyl]phenyl]phenyl] N-(benzenesulfonyl)carbamate
CID 67756950
tert-butyl 2-[4-[[2-butyl-6-(2-methylpropanoylamino)benzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572396
tert-butyl 2-[4-[[6-(2-anilinoethylcarbamoyl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572326
[2-[4-[[2-butyl-6-(cyclohexanecarbonylamino)benzimidazol-1-yl]methyl]phenyl]phenyl] hydrogen carbonate
CID 67757642
2-[4-[(2-butyl-6-phenylmethoxybenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 57265953
(2S,3R)-3-[[2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]benzimidazol-5-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 54417684
tert-butyl 2-[4-[[2-butyl-6-[[2-(dimethylamino)acetyl]amino]benzimidazol-1-yl]methyl]phenyl]benzoate
CID 67572512
[2-[4-[[2-butyl-6-(phenylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]phenyl] N-methylsulfonylcarbamate
CID 67756255
5-[[6-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 67864890
1-[2-butyl-3-[(4-phenylphenyl)methyl]benzimidazol-5-yl]-3-cyclohexylurea
CID 141066782

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine?
The IUPAC name of 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine (CID 70368542) is 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine?
The canonical SMILES for 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine is CCCCc1nc2ccc(NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine?
The InChIKey is KCQBNKAOFAZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3/c1-3-4-14-33-35-31-20-19-29(34-22-21-26-11-6-5-7-12-26)23-32(31)36(33)24-27-15-17-28(18-16-27)30-13-9-8-10-25(30)2/h5-13,15-20,23,34H,3-4,14,21-22,24H2,1-2H3.
What are the key properties of 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine?
2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine has a molecular weight of 473.66 g/mol, XLogP of 8.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[4-(2-methylphenyl)phenyl]methyl]-N-(2-phenylethyl)benzimidazol-5-amine is sourced from PubChem (CID 70368542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).