N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

C34H51N5O — CID 58770884

IUPACN,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(-c3ccc(N(CC)CC)cc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C34H51N5O/c1-5-9-24-38(25-10-6-2)34(40)29-17-20-31-32(27-29)39(26-14-23-36-21-12-11-13-22-36)33(35-31)28-15-18-30(19-16-28)37(7-3)8-4/h15-20,27H,5-14,21-26H2,1-4H3
InChIKeyMEQVAORDTSWRHP-UHFFFAOYSA-N
MW545.82 g/mol
LogP7.47
Rot. Bonds15

About N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 58770884) has the molecular formula C34H51N5O and a molecular weight of 545.82 g/mol. Its IUPAC name is N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
PubChem CID58770884
Molecular FormulaC34H51N5O
Molecular Weight545.82 g/mol
Exact Mass545.41
IUPAC NameN,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCCCCN(CCCC)C(=O)c1ccc2nc(-c3ccc(N(CC)CC)cc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C34H51N5O/c1-5-9-24-38(25-10-6-2)34(40)29-17-20-31-32(27-29)39(26-14-23-36-21-12-11-13-22-36)33(35-31)28-15-18-30(19-16-28)37(7-3)8-4/h15-20,27H,5-14,21-26H2,1-4H3
InChIKeyMEQVAORDTSWRHP-UHFFFAOYSA-N
XLogP7.47
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.82
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

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
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-propylbenzimidazole-5-carboxamide
CID 58770936
N,N-dibutyl-3-(3-piperidin-1-ylpropyl)-2-propan-2-ylbenzimidazole-5-carboxamide
CID 58771123
2-(3-ethyl-4-methylphenyl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 147811307
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
N,N-bis(3-methylbutyl)-2-(4-phenylmethoxyphenyl)-3-(4-piperidin-1-ylbutyl)benzimidazole-5-carboxamide
CID 143059904
2-(1H-imidazol-5-yl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770958
2-cyclohexyl-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770902
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-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (CID 58770884) is N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is CCCCN(CCCC)C(=O)c1ccc2nc(-c3ccc(N(CC)CC)cc3)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is MEQVAORDTSWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O/c1-5-9-24-38(25-10-6-2)34(40)29-17-20-31-32(27-29)39(26-14-23-36-21-12-11-13-22-36)33(35-31)28-15-18-30(19-16-28)37(7-3)8-4/h15-20,27H,5-14,21-26H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 545.82 g/mol, XLogP of 7.47, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[4-(diethylamino)phenyl]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 58770884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).