(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

C16H18FN3O2 — CID 124972419

IUPAC(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CC[C@H](c2ncc(C)[nH]2)C1
InChIInChI=1S/C16H18FN3O2/c1-10-8-18-15(19-10)11-5-6-20(9-11)16(21)13-7-12(17)3-4-14(13)22-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyKCUWTBQCDRMOND-NSHDSACASA-N
MW303.34 g/mol
LogP2.50
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124972419) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124972419
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CC[C@H](c2ncc(C)[nH]2)C1
InChIInChI=1S/C16H18FN3O2/c1-10-8-18-15(19-10)11-5-6-20(9-11)16(21)13-7-12(17)3-4-14(13)22-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyKCUWTBQCDRMOND-NSHDSACASA-N
XLogP2.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
(5-fluoro-2-methoxyphenyl)-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 125003943
5,6-dimethyl-3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951395
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110104161
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(5-fluoro-2-methoxyphenyl)-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 90648087
[4-(4-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 58494521
(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665
5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide
CID 124949521
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 124972419) is (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1CC[C@H](c2ncc(C)[nH]2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KCUWTBQCDRMOND-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-8-18-15(19-10)11-5-6-20(9-11)16(21)13-7-12(17)3-4-14(13)22-2/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124972419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).