4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one

C17H20N4O2 — CID 110205528

IUPAC4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C17H20N4O2/c1-20-10-11(9-15(20)22)17(23)21-8-4-7-14(21)16-18-12-5-2-3-6-13(12)19-16/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyFITGLAPMWHHAFX-IAXJKZSUSA-N
MW312.37 g/mol
LogP1.70
Rot. Bonds2

About 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 110205528) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID110205528
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C17H20N4O2/c1-20-10-11(9-15(20)22)17(23)21-8-4-7-14(21)16-18-12-5-2-3-6-13(12)19-16/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,18,19)/t11?,14-/m0/s1
InChIKeyFITGLAPMWHHAFX-IAXJKZSUSA-N
XLogP1.70
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
(4R)-4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94090973
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 51492726
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 51590631

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 110205528) is 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is FITGLAPMWHHAFX-IAXJKZSUSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-10-11(9-15(20)22)17(23)21-8-4-7-14(21)16-18-12-5-2-3-6-13(12)19-16/h2-3,5-6,11,14H,4,7-10H2,1H3,(H,18,19)/t11?,14-/m0/s1.
What are the key properties of 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 110205528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).