3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one

C21H20N6O2 — CID 167770957

IUPAC3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
SMILESCn1c(C(=O)N2CCCC2c2cn(-c3ccc4ccccc4c3)nn2)c[nH]c1=O
InChIInChI=1S/C21H20N6O2/c1-25-19(12-22-21(25)29)20(28)26-10-4-7-18(26)17-13-27(24-23-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,22,29)
InChIKeyPILJXVDTGULOTF-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.42
Rot. Bonds3

About 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one

3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one (PubChem CID 167770957) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
PubChem CID167770957
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
SMILESCn1c(C(=O)N2CCCC2c2cn(-c3ccc4ccccc4c3)nn2)c[nH]c1=O
InChIInChI=1S/C21H20N6O2/c1-25-19(12-22-21(25)29)20(28)26-10-4-7-18(26)17-13-27(24-23-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,22,29)
InChIKeyPILJXVDTGULOTF-UHFFFAOYSA-N
XLogP2.42
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-(triazol-2-yl)phenyl]-[2-(1-phenyltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 118355390
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
CID 55629262
N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167819480
3-methyl-5-[2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126950447
(2-methylpyrazol-3-yl)-[2-(6-phenoxy-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 110270300
cyclopropyl-[2-[1-(2-fluoro-3-methylphenyl)triazol-4-yl]pyrrolidin-1-yl]methanone
CID 166323620
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167968311
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
(3-phenyltriazol-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The IUPAC name of 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one (CID 167770957) is 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The canonical SMILES for 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one is Cn1c(C(=O)N2CCCC2c2cn(-c3ccc4ccccc4c3)nn2)c[nH]c1=O.
What is the InChIKey of 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
The InChIKey is PILJXVDTGULOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25-19(12-22-21(25)29)20(28)26-10-4-7-18(26)17-13-27(24-23-17)16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,22,29).
What are the key properties of 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one?
3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one has a molecular weight of 388.43 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(1-naphthalen-2-yltriazol-4-yl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one is sourced from PubChem (CID 167770957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).