4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one

C30H31N3O3 — CID 74896175

IUPAC4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC=Cc1ccc(OCCn2c(C3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C30H31N3O3/c1-4-7-22-12-15-27(28(18-22)35-3)36-17-16-32-26-9-6-5-8-25(26)31-30(32)23-19-29(34)33(20-23)24-13-10-21(2)11-14-24/h4-15,18,23H,16-17,19-20H2,1-3H3
InChIKeyRFJAGCGJSVXRSQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.99
Rot. Bonds8

About 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one

4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 74896175) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID74896175
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCC=Cc1ccc(OCCn2c(C3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C30H31N3O3/c1-4-7-22-12-15-27(28(18-22)35-3)36-17-16-32-26-9-6-5-8-25(26)31-30(32)23-19-29(34)33(20-23)24-13-10-21(2)11-14-24/h4-15,18,23H,16-17,19-20H2,1-3H3
InChIKeyRFJAGCGJSVXRSQ-UHFFFAOYSA-N
XLogP5.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003043
4-[1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002328
(4R)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538411
(4S)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538413
1-(2-fluorophenyl)-4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003448
1-(4-fluorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3160034
(4S)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7011289
(4R)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 40725103
4-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 17005767
2-cyclopropyl-1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazole
CID 16996695
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 74896175) is 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is CC=Cc1ccc(OCCn2c(C3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)c(OC)c1.
What is the InChIKey of 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is RFJAGCGJSVXRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-4-7-22-12-15-27(28(18-22)35-3)36-17-16-32-26-9-6-5-8-25(26)31-30(32)23-19-29(34)33(20-23)24-13-10-21(2)11-14-24/h4-15,18,23H,16-17,19-20H2,1-3H3.
What are the key properties of 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 481.60 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 74896175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).