1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

C29H25N3O2 — CID 3405569

IUPAC1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C29H25N3O2/c1-34-27-13-7-6-12-26(27)31-19-23(17-28(31)33)29-30-24-10-4-5-11-25(24)32(29)18-20-14-15-21-8-2-3-9-22(21)16-20/h2-16,23H,17-19H2,1H3
InChIKeyKBKBXEXFZCLZCG-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.77
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 3405569) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID3405569
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C29H25N3O2/c1-34-27-13-7-6-12-26(27)31-19-23(17-28(31)33)29-30-24-10-4-5-11-25(24)32(29)18-20-14-15-21-8-2-3-9-22(21)16-20/h2-16,23H,17-19H2,1H3
InChIKeyKBKBXEXFZCLZCG-UHFFFAOYSA-N
XLogP5.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3707339
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003652
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003743
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7010928
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(4S)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40841120
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
(4S)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40871118
(4S)-1-(2-methoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812273
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
(4S)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 39115911

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 3405569) is 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KBKBXEXFZCLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-34-27-13-7-6-12-26(27)31-19-23(17-28(31)33)29-30-24-10-4-5-11-25(24)32(29)18-20-14-15-21-8-2-3-9-22(21)16-20/h2-16,23H,17-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 447.54 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 3405569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).