6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C18H17ClN4O2 — CID 172968096

IUPAC6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccn1)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C18H17ClN4O2/c19-12-4-5-16-15(11-12)21-18(25)23(16)13-6-9-22(10-7-13)17(24)14-3-1-2-8-20-14/h1-5,8,11,13H,6-7,9-10H2,(H,21,25)
InChIKeyZRQPTLISUHVGCD-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.86
Rot. Bonds2

About 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968096) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968096
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccccn1)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIInChI=1S/C18H17ClN4O2/c19-12-4-5-16-15(11-12)21-18(25)23(16)13-6-9-22(10-7-13)17(24)14-3-1-2-8-20-14/h1-5,8,11,13H,6-7,9-10H2,(H,21,25)
InChIKeyZRQPTLISUHVGCD-UHFFFAOYSA-N
XLogP2.86
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968064
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
6-chloro-3-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44589500
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696094
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
3-[1-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 60575467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968096) is 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccccn1)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.
What is the InChIKey of 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZRQPTLISUHVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-12-4-5-16-15(11-12)21-18(25)23(16)13-6-9-22(10-7-13)17(24)14-3-1-2-8-20-14/h1-5,8,11,13H,6-7,9-10H2,(H,21,25).
What are the key properties of 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 356.81 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).