(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

C20H21N3O2 — CID 924808

IUPAC(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyOIAUJSAYADDJJY-AWEZNQCLSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds4

About (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 924808) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
PubChem CID924808
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCCOc1ccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1
InChIKeyOIAUJSAYADDJJY-AWEZNQCLSA-N
XLogP3.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589
1-(4-chlorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809864
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (CID 924808) is (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is CCOc1ccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OIAUJSAYADDJJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-25-16-7-5-15(6-8-16)23-12-14(11-19(23)24)20-21-17-9-4-13(2)10-18(17)22-20/h4-10,14H,3,11-12H2,1-2H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 924808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).