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

C32H52N4O — CID 58770902

IUPAC2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(C3CCCCC3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C32H52N4O/c1-25(2)16-22-35(23-17-26(3)4)32(37)28-14-15-29-30(24-28)36(21-11-20-34-18-9-6-10-19-34)31(33-29)27-12-7-5-8-13-27/h14-15,24-27H,5-13,16-23H2,1-4H3
InChIKeyFKARRHMZQPAQEA-UHFFFAOYSA-N
MW508.80 g/mol
LogP7.49
Rot. Bonds12

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

2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 58770902) has the molecular formula C32H52N4O and a molecular weight of 508.80 g/mol. Its IUPAC name is 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
PubChem CID58770902
Molecular FormulaC32H52N4O
Molecular Weight508.80 g/mol
Exact Mass508.41
IUPAC Name2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(C3CCCCC3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C32H52N4O/c1-25(2)16-22-35(23-17-26(3)4)32(37)28-14-15-29-30(24-28)36(21-11-20-34-18-9-6-10-19-34)31(33-29)27-12-7-5-8-13-27/h14-15,24-27H,5-13,16-23H2,1-4H3
InChIKeyFKARRHMZQPAQEA-UHFFFAOYSA-N
XLogP7.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.80
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (CID 58770902) is 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(C3CCCCC3)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is FKARRHMZQPAQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N4O/c1-25(2)16-22-35(23-17-26(3)4)32(37)28-14-15-29-30(24-28)36(21-11-20-34-18-9-6-10-19-34)31(33-29)27-12-7-5-8-13-27/h14-15,24-27H,5-13,16-23H2,1-4H3.
What are the key properties of 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 508.80 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).