1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one

C29H31N3O3 — CID 43841724

IUPAC1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cccc(C)c1OCC(O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C29H31N3O3/c1-20-9-8-10-21(2)28(20)35-19-24(33)18-32-26-14-7-6-13-25(26)30-29(32)23-15-27(34)31(17-23)16-22-11-4-3-5-12-22/h3-14,23-24,33H,15-19H2,1-2H3
InChIKeyMVRRAHCRJPOACR-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.61
Rot. Bonds8

About 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one

1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 43841724) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID43841724
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cccc(C)c1OCC(O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C29H31N3O3/c1-20-9-8-10-21(2)28(20)35-19-24(33)18-32-26-14-7-6-13-25(26)30-29(32)23-15-27(34)31(17-23)16-22-11-4-3-5-12-22/h3-14,23-24,33H,15-19H2,1-2H3
InChIKeyMVRRAHCRJPOACR-UHFFFAOYSA-N
XLogP4.61
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-benzyl-4-[1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 92902265
(4S)-1-benzyl-4-[1-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408319
(4S)-4-[1-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 92902247
1-benzyl-4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754148
(4S)-4-[1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 92902139
1-benzyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005487
(4S)-4-[1-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 92902278
(4R)-4-[1-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 92902281
(4S)-4-[1-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408145
ethyl 2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40698686
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
(4R)-4-[1-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-prop-2-enylpyrrolidin-2-one
CID 27408154

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 43841724) is 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1cccc(C)c1OCC(O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is MVRRAHCRJPOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-9-8-10-21(2)28(20)35-19-24(33)18-32-26-14-7-6-13-25(26)30-29(32)23-15-27(34)31(17-23)16-22-11-4-3-5-12-22/h3-14,23-24,33H,15-19H2,1-2H3.
What are the key properties of 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 469.59 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 43841724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).