[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

C19H25N3O2 — CID 110104485

IUPAC[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
SMILESCc1cn(C)c(C2CCCN2C(=O)c2c(C)oc3c2CCCC3)n1
InChIInChI=1S/C19H25N3O2/c1-12-11-21(3)18(20-12)15-8-6-10-22(15)19(23)17-13(2)24-16-9-5-4-7-14(16)17/h11,15H,4-10H2,1-3H3
InChIKeyXNPUVVSCQGIRKJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.49
Rot. Bonds2

About [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone (PubChem CID 110104485) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
PubChem CID110104485
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
SMILESCc1cn(C)c(C2CCCN2C(=O)c2c(C)oc3c2CCCC3)n1
InChIInChI=1S/C19H25N3O2/c1-12-11-21(3)18(20-12)15-8-6-10-22(15)19(23)17-13(2)24-16-9-5-4-7-14(16)17/h11,15H,4-10H2,1-3H3
InChIKeyXNPUVVSCQGIRKJ-UHFFFAOYSA-N
XLogP3.49
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125005800
1-[3-[(2S)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 95833815
[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95835410
5-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 124974307
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 124972758
(E)-1-[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110104334
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124941800
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 110104544
[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 124982655
[3-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95833898
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 124970536
2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124756310

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone (CID 110104485) is [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone is Cc1cn(C)c(C2CCCN2C(=O)c2c(C)oc3c2CCCC3)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone?
The InChIKey is XNPUVVSCQGIRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-11-21(3)18(20-12)15-8-6-10-22(15)19(23)17-13(2)24-16-9-5-4-7-14(16)17/h11,15H,4-10H2,1-3H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone?
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 110104485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).