[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

C16H19N3O3 — CID 90650929

IUPAC[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)c3cnc[nH]3)C2)c1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-5-3-4-12(15(14)22-2)11-6-7-19(9-11)16(20)13-8-17-10-18-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyPMBUNIICZYBDEW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.06
Rot. Bonds4

About [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 90650929) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID90650929
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCOc1cccc(C2CCN(C(=O)c3cnc[nH]3)C2)c1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-5-3-4-12(15(14)22-2)11-6-7-19(9-11)16(20)13-8-17-10-18-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyPMBUNIICZYBDEW-UHFFFAOYSA-N
XLogP2.06
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone
CID 99971887
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 91783433
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126428798
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 97275219
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
2-(2,4-difluorophenoxy)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 72912911
[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-(1H-imidazol-5-yl)methanone
CID 110142590

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 90650929) is [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is COc1cccc(C2CCN(C(=O)c3cnc[nH]3)C2)c1OC.
What is the InChIKey of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is PMBUNIICZYBDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-5-3-4-12(15(14)22-2)11-6-7-19(9-11)16(20)13-8-17-10-18-13/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 90650929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).