(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

C20H21N3O2 — CID 96571566

IUPAC(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1ccc(CN2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-13-3-8-17-18(9-13)22-20(21-17)15-10-19(24)23(12-15)11-14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyXRBUNPONMDALHV-OAHLLOKOSA-N
MW335.41 g/mol
LogP3.40
Rot. Bonds4

About (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 96571566) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
PubChem CID96571566
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1ccc(CN2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H21N3O2/c1-13-3-8-17-18(9-13)22-20(21-17)15-10-19(24)23(12-15)11-14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyXRBUNPONMDALHV-OAHLLOKOSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 30936507
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
2-[[(3S,4R)-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-6-methyl-1H-benzimidazole
CID 75410711
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242774
(4-methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
5-methoxy-10-[(4-methoxyphenyl)methyl]-4-methyl-10,13-diazatricyclo[6.4.1.02,7]trideca-2(7),3,5-trien-11-one
CID 102349263

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one (CID 96571566) is (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is COc1ccc(CN2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1.
What is the InChIKey of (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is XRBUNPONMDALHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-3-8-17-18(9-13)22-20(21-17)15-10-19(24)23(12-15)11-14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 96571566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).