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

C17H22Cl2N4O — CID 67033847

IUPAC2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCC1CC(C(N)=O)CCN1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C17H22Cl2N4O/c1-2-3-4-11-7-10(16(20)24)5-6-23(11)17-21-14-8-12(18)13(19)9-15(14)22-17/h8-11H,2-7H2,1H3,(H2,20,24)(H,21,22)
InChIKeyLEWWTFDKZGUEIC-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.13
Rot. Bonds5

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

2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 67033847) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID67033847
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
SMILESCCCCC1CC(C(N)=O)CCN1c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C17H22Cl2N4O/c1-2-3-4-11-7-10(16(20)24)5-6-23(11)17-21-14-8-12(18)13(19)9-15(14)22-17/h8-11H,2-7H2,1H3,(H2,20,24)(H,21,22)
InChIKeyLEWWTFDKZGUEIC-UHFFFAOYSA-N
XLogP4.13
TPSA75.01 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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide (CID 67033847) is 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is CCCCC1CC(C(N)=O)CCN1c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LEWWTFDKZGUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-2-3-4-11-7-10(16(20)24)5-6-23(11)17-21-14-8-12(18)13(19)9-15(14)22-17/h8-11H,2-7H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide?
2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67033847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).