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

C17H22Cl2N4O — CID 110603188

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22Cl2N4O/c1-3-22(4-2)17(24)23-7-5-11(6-8-23)16-20-14-9-12(18)13(19)10-15(14)21-16/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyYKNJYSYFFAAPJD-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.51
Rot. Bonds3

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

4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide (PubChem CID 110603188) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
PubChem CID110603188
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1
InChIInChI=1S/C17H22Cl2N4O/c1-3-22(4-2)17(24)23-7-5-11(6-8-23)16-20-14-9-12(18)13(19)10-15(14)21-16/h9-11H,3-8H2,1-2H3,(H,20,21)
InChIKeyYKNJYSYFFAAPJD-UHFFFAOYSA-N
XLogP4.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-propylpiperidine-1-sulfonamide
CID 110611063
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 110611061
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
(3,4-dichlorophenyl)-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 108756872
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone
CID 134153885
4-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 6985710
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide (CID 110603188) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide?
The InChIKey is YKNJYSYFFAAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-3-22(4-2)17(24)23-7-5-11(6-8-23)16-20-14-9-12(18)13(19)10-15(14)21-16/h9-11H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide has a molecular weight of 369.30 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 110603188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).