2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

C22H23N3O3 — CID 91839594

IUPAC2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1C(=O)N1CCCC1c1nc3c(C)cccc3[nH]1)C(=O)CCC2
InChIInChI=1S/C22H23N3O3/c1-12-6-3-7-14-20(12)24-21(23-14)15-8-5-11-25(15)22(27)18-13(2)28-17-10-4-9-16(26)19(17)18/h3,6-7,15H,4-5,8-11H2,1-2H3,(H,23,24)
InChIKeySKCNCRUATLOJGD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.27
Rot. Bonds2

About 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one

2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 91839594) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID91839594
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1oc2c(c1C(=O)N1CCCC1c1nc3c(C)cccc3[nH]1)C(=O)CCC2
InChIInChI=1S/C22H23N3O3/c1-12-6-3-7-14-20(12)24-21(23-14)15-8-5-11-25(15)22(27)18-13(2)28-17-10-4-9-16(26)19(17)18/h3,6-7,15H,4-5,8-11H2,1-2H3,(H,23,24)
InChIKeySKCNCRUATLOJGD-UHFFFAOYSA-N
XLogP4.27
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(2R)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124756310
1-cyclopropyl-4-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 175645173
5-chloro-3-[(2S)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95189791
2-methyl-3-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 125157233
5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043049
1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 91794110
formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 154903848
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 110104485
[(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
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
[2-(4,5-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 118126987

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one (CID 91839594) is 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is Cc1oc2c(c1C(=O)N1CCCC1c1nc3c(C)cccc3[nH]1)C(=O)CCC2.
What is the InChIKey of 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is SKCNCRUATLOJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-12-6-3-7-14-20(12)24-21(23-14)15-8-5-11-25(15)22(27)18-13(2)28-17-10-4-9-16(26)19(17)18/h3,6-7,15H,4-5,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one?
2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 91839594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).