N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide

C17H22Cl2N4O — CID 67033846

IUPACN-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22Cl2N4O/c1-2-3-6-20-16(24)11-4-7-23(8-5-11)17-21-14-9-12(18)13(19)10-15(14)22-17/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22)
InChIKeyUFHSVTJSUFSCFZ-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.00
Rot. Bonds5

About N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide

N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 67033846) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID67033846
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC NameN-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22Cl2N4O/c1-2-3-6-20-16(24)11-4-7-23(8-5-11)17-21-14-9-12(18)13(19)10-15(14)22-17/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22)
InChIKeyUFHSVTJSUFSCFZ-UHFFFAOYSA-N
XLogP4.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67034029
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67033890
2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67033847
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
ethyl 1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 70654030
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
(cyclopentylamino) 1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 87244043
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 46358989
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide
CID 92876497

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (CID 67033846) is N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is UFHSVTJSUFSCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-2-3-6-20-16(24)11-4-7-23(8-5-11)17-21-14-9-12(18)13(19)10-15(14)22-17/h9-11H,2-8H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67033846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).