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

C23H27N3O2 — CID 3759471

IUPAC1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCC(C)C)CC2=O)c1
InChIInChI=1S/C23H27N3O2/c1-16(2)11-12-25-21-10-5-4-9-20(21)24-23(25)17-13-22(27)26(15-17)18-7-6-8-19(14-18)28-3/h4-10,14,16-17H,11-13,15H2,1-3H3
InChIKeyYJYFUEFUUNWAMP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.61
Rot. Bonds6

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

1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 3759471) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID3759471
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCC(C)C)CC2=O)c1
InChIInChI=1S/C23H27N3O2/c1-16(2)11-12-25-21-10-5-4-9-20(21)24-23(25)17-13-22(27)26(15-17)18-7-6-8-19(14-18)28-3/h4-10,14,16-17H,11-13,15H2,1-3H3
InChIKeyYJYFUEFUUNWAMP-UHFFFAOYSA-N
XLogP4.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.61
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-phenylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003932
(4R)-4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080692
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 933954
(4S)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 40836190
1-(3-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4586861
(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-(4-ethoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574568
(4R)-1-(3-methoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011033
1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003947

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 3759471) is 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1cccc(N2CC(c3nc4ccccc4n3CCC(C)C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is YJYFUEFUUNWAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)11-12-25-21-10-5-4-9-20(21)24-23(25)17-13-22(27)26(15-17)18-7-6-8-19(14-18)28-3/h4-10,14,16-17H,11-13,15H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.61, 6 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-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 3759471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).