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

C20H19N5O2 — CID 70724622

IUPAC3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc2nccn2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H19N5O2/c26-19(14-5-6-18-21-9-12-24(18)13-14)23-10-7-15(8-11-23)25-17-4-2-1-3-16(17)22-20(25)27/h1-6,9,12-13,15H,7-8,10-11H2,(H,22,27)
InChIKeyCOLGLTJHOXWQFF-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.45
Rot. Bonds2

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

3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 70724622) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID70724622
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc2nccn2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H19N5O2/c26-19(14-5-6-18-21-9-12-24(18)13-14)23-10-7-15(8-11-23)25-17-4-2-1-3-16(17)22-20(25)27/h1-6,9,12-13,15H,7-8,10-11H2,(H,22,27)
InChIKeyCOLGLTJHOXWQFF-UHFFFAOYSA-N
XLogP2.45
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-(6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 128531036
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 70724622) is 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccc2nccn2c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is COLGLTJHOXWQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19(14-5-6-18-21-9-12-24(18)13-14)23-10-7-15(8-11-23)25-17-4-2-1-3-16(17)22-20(25)27/h1-6,9,12-13,15H,7-8,10-11H2,(H,22,27).
What are the key properties of 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 361.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 70724622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).