(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one

C21H23N3O2 — CID 933954

IUPAC(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)24-19-10-5-4-9-18(19)22-21(24)15-11-20(25)23(13-15)16-7-6-8-17(12-16)26-3/h4-10,12,14-15H,11,13H2,1-3H3/t15-/m1/s1
InChIKeyJEIACBXBTZPWOF-OAHLLOKOSA-N
MW349.43 g/mol
LogP4.15
Rot. Bonds4

About (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one

(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 933954) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID933954
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1
InChIInChI=1S/C21H23N3O2/c1-14(2)24-19-10-5-4-9-18(19)22-21(24)15-11-20(25)23(13-15)16-7-6-8-17(12-16)26-3/h4-10,12,14-15H,11,13H2,1-3H3/t15-/m1/s1
InChIKeyJEIACBXBTZPWOF-OAHLLOKOSA-N
XLogP4.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3759471
1-(4-methylphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3741589
(4S)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011032
1-(3-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4586861
1-(3-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754531
(4R)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011033
(4S)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 40836190
1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
1-(2-fluorophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754106
(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080560
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 7011052

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one (CID 933954) is (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is COc1cccc(N2C[C@H](c3nc4ccccc4n3C(C)C)CC2=O)c1.
What is the InChIKey of (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is JEIACBXBTZPWOF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14(2)24-19-10-5-4-9-18(19)22-21(24)15-11-20(25)23(13-15)16-7-6-8-17(12-16)26-3/h4-10,12,14-15H,11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 933954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).