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

C29H25N3O2 — CID 40836176

IUPAC(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1
InChIInChI=1S/C29H25N3O2/c1-34-24-15-13-23(14-16-24)31-19-22(17-28(31)33)29-30-26-11-4-5-12-27(26)32(29)18-21-9-6-8-20-7-2-3-10-25(20)21/h2-16,22H,17-19H2,1H3/t22-/m0/s1
InChIKeyUIPSSZYRCFHWQF-QFIPXVFZSA-N
MW447.54 g/mol
LogP5.77
Rot. Bonds5

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

(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40836176) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40836176
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1
InChIInChI=1S/C29H25N3O2/c1-34-24-15-13-23(14-16-24)31-19-22(17-28(31)33)29-30-26-11-4-5-12-27(26)32(29)18-21-9-6-8-20-7-2-3-10-25(20)21/h2-16,22H,17-19H2,1H3/t22-/m0/s1
InChIKeyUIPSSZYRCFHWQF-QFIPXVFZSA-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

(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011264
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011768
1-(3-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4586861
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
(4R)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40841127
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 17004943
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791
(4R)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40841160
1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002642

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 40836176) is (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is UIPSSZYRCFHWQF-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-34-24-15-13-23(14-16-24)31-19-22(17-28(31)33)29-30-26-11-4-5-12-27(26)32(29)18-21-9-6-8-20-7-2-3-10-25(20)21/h2-16,22H,17-19H2,1H3/t22-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-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 (4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40836176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).