1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one

C19H25N3O2 — CID 70768855

IUPAC1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)CCCn2ccnc2C)c1
InChIInChI=1S/C19H25N3O2/c1-15-20-10-13-21(15)11-5-9-19(23)22-12-4-8-18(22)16-6-3-7-17(14-16)24-2/h3,6-7,10,13-14,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyXBUIQXZLNFTSOH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one

1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one (PubChem CID 70768855) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
PubChem CID70768855
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
SMILESCOc1cccc(C2CCCN2C(=O)CCCn2ccnc2C)c1
InChIInChI=1S/C19H25N3O2/c1-15-20-10-13-21(15)11-5-9-19(23)22-12-4-8-18(22)16-6-3-7-17(14-16)24-2/h3,6-7,10,13-14,18H,4-5,8-9,11-12H2,1-2H3
InChIKeyXBUIQXZLNFTSOH-UHFFFAOYSA-N
XLogP3.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 96573973
4-(2-methylimidazol-1-yl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95303189
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46700042
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 56814450
5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 82013930
3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51982733
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 97009282
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 96576899
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 74247323

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one (CID 70768855) is 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one is COc1cccc(C2CCCN2C(=O)CCCn2ccnc2C)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
The InChIKey is XBUIQXZLNFTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-20-10-13-21(15)11-5-9-19(23)22-12-4-8-18(22)16-6-3-7-17(14-16)24-2/h3,6-7,10,13-14,18H,4-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one is sourced from PubChem (CID 70768855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).