1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O2 — CID 17003932

IUPAC1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1
InChIInChI=1S/C27H27N3O2/c1-32-23-13-7-12-22(18-23)30-19-21(17-26(30)31)27-28-24-14-5-6-15-25(24)29(27)16-8-11-20-9-3-2-4-10-20/h2-7,9-10,12-15,18,21H,8,11,16-17,19H2,1H3
InChIKeyIIADXAILRDKHTB-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.20
Rot. Bonds7

About 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17003932) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17003932
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1
InChIInChI=1S/C27H27N3O2/c1-32-23-13-7-12-22(18-23)30-19-21(17-26(30)31)27-28-24-14-5-6-15-25(24)29(27)16-8-11-20-9-3-2-4-10-20/h2-7,9-10,12-15,18,21H,8,11,16-17,19H2,1H3
InChIKeyIIADXAILRDKHTB-UHFFFAOYSA-N
XLogP5.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387
1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3759471
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555
(4S)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011032
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-(2,6-dimethylphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003158
1-(3,4-dimethylphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004372
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
1-(3-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4586861
(4R)-1-(3-methylsulfanylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812744

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17003932) is 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1cccc(N2CC(c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is IIADXAILRDKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-32-23-13-7-12-22(18-23)30-19-21(17-26(30)31)27-28-24-14-5-6-15-25(24)29(27)16-8-11-20-9-3-2-4-10-20/h2-7,9-10,12-15,18,21H,8,11,16-17,19H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[1-(3-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17003932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).