4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

C18H17N5O — CID 45176766

IUPAC4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(c2ncc(-c3cccnc3)[nH]2)CN1Cc1cccnc1
InChIInChI=1S/C18H17N5O/c24-17-7-15(12-23(17)11-13-3-1-5-19-8-13)18-21-10-16(22-18)14-4-2-6-20-9-14/h1-6,8-10,15H,7,11-12H2,(H,21,22)
InChIKeyMJWQFBZOJLZOHY-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.38
Rot. Bonds4

About 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one

4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (PubChem CID 45176766) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
PubChem CID45176766
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(c2ncc(-c3cccnc3)[nH]2)CN1Cc1cccnc1
InChIInChI=1S/C18H17N5O/c24-17-7-15(12-23(17)11-13-3-1-5-19-8-13)18-21-10-16(22-18)14-4-2-6-20-9-14/h1-6,8-10,15H,7,11-12H2,(H,21,22)
InChIKeyMJWQFBZOJLZOHY-UHFFFAOYSA-N
XLogP2.38
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,5-diphenyl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 45209025
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
oxane;2-[5-oxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582733
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
(4R)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97434734
(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30882284
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29085956
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
(4R)-4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97452777

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one (CID 45176766) is 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is O=C1CC(c2ncc(-c3cccnc3)[nH]2)CN1Cc1cccnc1.
What is the InChIKey of 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is MJWQFBZOJLZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-17-7-15(12-23(17)11-13-3-1-5-19-8-13)18-21-10-16(22-18)14-4-2-6-20-9-14/h1-6,8-10,15H,7,11-12H2,(H,21,22).
What are the key properties of 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one?
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 319.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 45176766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).