1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O2 — CID 4754175

IUPAC1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCn2c(C3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O2/c1-20-11-13-23(14-12-20)32-16-15-30-25-10-6-5-9-24(25)28-27(30)22-17-26(31)29(19-22)18-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3
InChIKeyCLWNZAUUNSQBRZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.94
Rot. Bonds7

About 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 4754175) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID4754175
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCn2c(C3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O2/c1-20-11-13-23(14-12-20)32-16-15-30-25-10-6-5-9-24(25)28-27(30)22-17-26(31)29(19-22)18-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3
InChIKeyCLWNZAUUNSQBRZ-UHFFFAOYSA-N
XLogP4.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 4754175) is 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(OCCn2c(C3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is CLWNZAUUNSQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-20-11-13-23(14-12-20)32-16-15-30-25-10-6-5-9-24(25)28-27(30)22-17-26(31)29(19-22)18-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3.
What are the key properties of 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 4754175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).