N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide

C27H44N4O — CID 58770936

IUPACN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(CCC)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C27H44N4O/c1-4-7-19-30(20-8-5-2)27(32)23-14-15-24-25(22-23)31(26(28-24)13-6-3)21-12-18-29-16-10-9-11-17-29/h14-15,22H,4-13,16-21H2,1-3H3
InChIKeyFCGQEBBIGGPRLP-UHFFFAOYSA-N
MW440.68 g/mol
LogP5.91
Rot. Bonds13

About N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide (PubChem CID 58770936) has the molecular formula C27H44N4O and a molecular weight of 440.68 g/mol. Its IUPAC name is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
PubChem CID58770936
Molecular FormulaC27H44N4O
Molecular Weight440.68 g/mol
Exact Mass440.35
IUPAC NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(CCC)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C27H44N4O/c1-4-7-19-30(20-8-5-2)27(32)23-14-15-24-25(22-23)31(26(28-24)13-6-3)21-12-18-29-16-10-9-11-17-29/h14-15,22H,4-13,16-21H2,1-3H3
InChIKeyFCGQEBBIGGPRLP-UHFFFAOYSA-N
XLogP5.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide (CID 58770936) is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(CCC)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide?
The InChIKey is FCGQEBBIGGPRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O/c1-4-7-19-30(20-8-5-2)27(32)23-14-15-24-25(22-23)31(26(28-24)13-6-3)21-12-18-29-16-10-9-11-17-29/h14-15,22H,4-13,16-21H2,1-3H3.
What are the key properties of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide?
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide has a molecular weight of 440.68 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58770936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).