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

C19H19ClN4O2 — CID 172968064

IUPAC6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cn1
InChIInChI=1S/C19H19ClN4O2/c1-12-2-3-13(11-21-12)18(25)23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26/h2-5,10-11,15H,6-9H2,1H3,(H,22,26)
InChIKeyCYXFYYVIYICTLG-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.16
Rot. Bonds2

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

6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968064) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968064
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cn1
InChIInChI=1S/C19H19ClN4O2/c1-12-2-3-13(11-21-12)18(25)23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26/h2-5,10-11,15H,6-9H2,1H3,(H,22,26)
InChIKeyCYXFYYVIYICTLG-UHFFFAOYSA-N
XLogP3.16
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[1-(6-methylpyridine-3-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-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968096
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
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-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
6-chloro-3-[1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25132795
6-chloro-3-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44589500
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
3-cyclopentyl-6-[4-[(4-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 139001632
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968064) is 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)cn1.
What is the InChIKey of 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is CYXFYYVIYICTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-2-3-13(11-21-12)18(25)23-8-6-15(7-9-23)24-17-5-4-14(20)10-16(17)22-19(24)26/h2-5,10-11,15H,6-9H2,1H3,(H,22,26).
What are the key properties of 6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
6-chloro-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.16, 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-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).