N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

C29H41N5O — CID 20883034

IUPACN-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C29H41N5O/c1-5-32(6-2)17-9-16-30-28(35)24-14-18-33(19-15-24)29-31-26-10-7-8-11-27(26)34(29)21-25-20-22(3)12-13-23(25)4/h7-8,10-13,20,24H,5-6,9,14-19,21H2,1-4H3,(H,30,35)
InChIKeyVNVOTMURJIFJDL-UHFFFAOYSA-N
MW475.68 g/mol
LogP4.77
Rot. Bonds10

About N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 20883034) has the molecular formula C29H41N5O and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID20883034
Molecular FormulaC29H41N5O
Molecular Weight475.68 g/mol
Exact Mass475.33
IUPAC NameN-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1
InChIInChI=1S/C29H41N5O/c1-5-32(6-2)17-9-16-30-28(35)24-14-18-33(19-15-24)29-31-26-10-7-8-11-27(26)34(29)21-25-20-22(3)12-13-23(25)4/h7-8,10-13,20,24H,5-6,9,14-19,21H2,1-4H3,(H,30,35)
InChIKeyVNVOTMURJIFJDL-UHFFFAOYSA-N
XLogP4.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 20883058
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 20886929
N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882877
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 20883026
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20883075
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716142
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20883060
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
ethyl (3R)-1-[1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92716355
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (CID 20883034) is N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VNVOTMURJIFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N5O/c1-5-32(6-2)17-9-16-30-28(35)24-14-18-33(19-15-24)29-31-26-10-7-8-11-27(26)34(29)21-25-20-22(3)12-13-23(25)4/h7-8,10-13,20,24H,5-6,9,14-19,21H2,1-4H3,(H,30,35).
What are the key properties of N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 475.68 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20883034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).