2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

C33H54N4O — CID 58770919

IUPAC2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(CCC3CCCC3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C33H54N4O/c1-26(2)17-23-36(24-18-27(3)4)33(38)29-14-15-30-31(25-29)37(22-10-21-35-19-8-5-9-20-35)32(34-30)16-13-28-11-6-7-12-28/h14-15,25-28H,5-13,16-24H2,1-4H3
InChIKeyPYJXWKRGBFQMMR-UHFFFAOYSA-N
MW522.82 g/mol
LogP7.57
Rot. Bonds14

About 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 58770919) has the molecular formula C33H54N4O and a molecular weight of 522.82 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
PubChem CID58770919
Molecular FormulaC33H54N4O
Molecular Weight522.82 g/mol
Exact Mass522.43
IUPAC Name2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(CCC3CCCC3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C33H54N4O/c1-26(2)17-23-36(24-18-27(3)4)33(38)29-14-15-30-31(25-29)37(22-10-21-35-19-8-5-9-20-35)32(34-30)16-13-28-11-6-7-12-28/h14-15,25-28H,5-13,16-24H2,1-4H3
InChIKeyPYJXWKRGBFQMMR-UHFFFAOYSA-N
XLogP7.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770902
N,N-bis(3-methylbutyl)-2-[3-(methyliminomethyl)hexa-3,5-dienyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 123486129
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
CID 58770936
2-(1H-imidazol-5-yl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770958
2-[(Z)-1-(methylamino)prop-1-enyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 71105522
2-(3-ethyl-4-methylphenyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 147811307
methyl 5-[6-[bis(2-methylpropyl)carbamoyl]-1-(3-piperidin-1-ylpropyl)benzimidazol-2-yl]pentanoate
CID 58770915
N,N-bis(3-methylbutyl)-2-(4-piperidin-1-ylanilino)-3-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 163839893
N,N-bis(3-methylbutyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695104
2-N-(4-methoxyphenyl)-5-N,5-N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-2,5-dicarboxamide
CID 58771117
2-(4-cyanoanilino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695496
2-[(4-methoxyphenyl)methyl]-N,N-bis(2-methylpropyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770930

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (CID 58770919) is 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(CCC3CCCC3)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is PYJXWKRGBFQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N4O/c1-26(2)17-23-36(24-18-27(3)4)33(38)29-14-15-30-31(25-29)37(22-10-21-35-19-8-5-9-20-35)32(34-30)16-13-28-11-6-7-12-28/h14-15,25-28H,5-13,16-24H2,1-4H3.
What are the key properties of 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 522.82 g/mol, XLogP of 7.57, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58770919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).