N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide

C23H34N4O — CID 50996832

IUPACN-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3cc(C)c(C)cc3n2C2CCC2)CC1
InChIInChI=1S/C23H34N4O/c1-4-5-11-24-22(28)18-9-12-26(13-10-18)23-25-20-14-16(2)17(3)15-21(20)27(23)19-7-6-8-19/h14-15,18-19H,4-13H2,1-3H3,(H,24,28)
InChIKeyQXTQJGJRDGFIKF-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.51
Rot. Bonds6

About N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide

N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 50996832) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID50996832
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC NameN-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3cc(C)c(C)cc3n2C2CCC2)CC1
InChIInChI=1S/C23H34N4O/c1-4-5-11-24-22(28)18-9-12-26(13-10-18)23-25-20-14-16(2)17(3)15-21(20)27(23)19-7-6-8-19/h14-15,18-19H,4-13H2,1-3H3,(H,24,28)
InChIKeyQXTQJGJRDGFIKF-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 50996832) is N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc3cc(C)c(C)cc3n2C2CCC2)CC1.
What is the InChIKey of N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QXTQJGJRDGFIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-4-5-11-24-22(28)18-9-12-26(13-10-18)23-25-20-14-16(2)17(3)15-21(20)27(23)19-7-6-8-19/h14-15,18-19H,4-13H2,1-3H3,(H,24,28).
What are the key properties of N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 382.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1-cyclobutyl-5,6-dimethylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).