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

C26H25N3O2 — CID 40841160

IUPAC(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H25N3O2/c1-18-11-13-21(14-12-18)28-17-20(15-25(28)30)26-27-22-8-4-5-9-23(22)29(26)16-19-7-3-6-10-24(19)31-2/h3-14,20H,15-17H2,1-2H3/t20-/m1/s1
InChIKeyPHIBVRCUQGRKTR-HXUWFJFHSA-N
MW411.51 g/mol
LogP4.92
Rot. Bonds5

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

(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 40841160) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID40841160
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H25N3O2/c1-18-11-13-21(14-12-18)28-17-20(15-25(28)30)26-27-22-8-4-5-9-23(22)29(26)16-19-7-3-6-10-24(19)31-2/h3-14,20H,15-17H2,1-2H3/t20-/m1/s1
InChIKeyPHIBVRCUQGRKTR-HXUWFJFHSA-N
XLogP4.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 3698723
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011768
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387084
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40836176
(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011264
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40728257
1-cyclopentyl-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965242
(4S)-1-(4-methylphenyl)-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40728245

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 40841160) is (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is COc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21.
What is the InChIKey of (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is PHIBVRCUQGRKTR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18-11-13-21(14-12-18)28-17-20(15-25(28)30)26-27-22-8-4-5-9-23(22)29(26)16-19-7-3-6-10-24(19)31-2/h3-14,20H,15-17H2,1-2H3/t20-/m1/s1.
What are the key properties of (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 411.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40841160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).