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

C27H44N4O — CID 58771123

IUPACN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(C(C)C)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C27H44N4O/c1-5-7-18-30(19-8-6-2)27(32)23-13-14-24-25(21-23)31(26(28-24)22(3)4)20-12-17-29-15-10-9-11-16-29/h13-14,21-22H,5-12,15-20H2,1-4H3
InChIKeyNMQMZJKTNOQURL-UHFFFAOYSA-N
MW440.68 g/mol
LogP6.08
Rot. Bonds12

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

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 58771123) 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-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID58771123
Molecular FormulaC27H44N4O
Molecular Weight440.68 g/mol
Exact Mass440.35
IUPAC NameN,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(C(C)C)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C27H44N4O/c1-5-7-18-30(19-8-6-2)27(32)23-13-14-24-25(21-23)31(26(28-24)22(3)4)20-12-17-29-15-10-9-11-16-29/h13-14,21-22H,5-12,15-20H2,1-4H3
InChIKeyNMQMZJKTNOQURL-UHFFFAOYSA-N
XLogP6.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propylbenzimidazole-5-carboxamide
CID 58770936
N,N-dibutyl-2-[4-(dimethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770907
N,N-dibutyl-2-(4-chlorophenyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770998
N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770884
3-[3-(azepan-1-yl)propyl]-N,N-dibutyl-2-(3-nitrophenyl)benzimidazole-5-carboxamide
CID 143059864
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-(pyridin-3-ylamino)benzimidazole-5-carboxamide
CID 59695492
N,N-dibutyl-2-[4-(methylsulfamoyl)anilino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695186
2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770902
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
2-(1H-imidazol-5-yl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770958
2-(2-cyclopentylethyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770919

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide (CID 58771123) is N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(C(C)C)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is NMQMZJKTNOQURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O/c1-5-7-18-30(19-8-6-2)27(32)23-13-14-24-25(21-23)31(26(28-24)22(3)4)20-12-17-29-15-10-9-11-16-29/h13-14,21-22H,5-12,15-20H2,1-4H3.
What are the key properties of N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide?
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 440.68 g/mol, XLogP of 6.08, 12 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-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58771123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).