3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one

C17H14N6O2 — CID 86694189

IUPAC3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(n2c(=O)[nH]c3cccnc32)C1
InChIInChI=1S/C17H14N6O2/c24-16(14-19-11-4-1-2-5-12(11)20-14)22-8-10(9-22)23-15-13(21-17(23)25)6-3-7-18-15/h1-7,10H,8-9H2,(H,19,20)(H,21,25)
InChIKeyIYQLVSSHNFTGQV-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.30
Rot. Bonds2

About 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one

3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 86694189) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID86694189
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(n2c(=O)[nH]c3cccnc32)C1
InChIInChI=1S/C17H14N6O2/c24-16(14-19-11-4-1-2-5-12(11)20-14)22-8-10(9-22)23-15-13(21-17(23)25)6-3-7-18-15/h1-7,10H,8-9H2,(H,19,20)(H,21,25)
InChIKeyIYQLVSSHNFTGQV-UHFFFAOYSA-N
XLogP1.30
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547040
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 159318519
1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 58547341
ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875
1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
CID 58546995
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
1H-benzimidazol-2-yl-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 67477462
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 86694195
1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547127
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 86694189) is 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one is O=C(c1nc2ccccc2[nH]1)N1CC(n2c(=O)[nH]c3cccnc32)C1.
What is the InChIKey of 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IYQLVSSHNFTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-16(14-19-11-4-1-2-5-12(11)20-14)22-8-10(9-22)23-15-13(21-17(23)25)6-3-7-18-15/h1-7,10H,8-9H2,(H,19,20)(H,21,25).
What are the key properties of 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 334.34 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 86694189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).