2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C30H32N4O3 — CID 19242790

IUPAC2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1
InChIInChI=1S/C30H32N4O3/c1-21(2)34(24-9-5-4-6-10-24)29(36)20-33-27-12-8-7-11-26(27)31-30(33)23-17-28(35)32(19-23)18-22-13-15-25(37-3)16-14-22/h4-16,21,23H,17-20H2,1-3H3
InChIKeyYPNKYKFHLZSIFK-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.00
Rot. Bonds8

About 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 19242790) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID19242790
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCOc1ccc(CN2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1
InChIInChI=1S/C30H32N4O3/c1-21(2)34(24-9-5-4-6-10-24)29(36)20-33-27-12-8-7-11-26(27)31-30(33)23-17-28(35)32(19-23)18-22-13-15-25(37-3)16-14-22/h4-16,21,23H,17-20H2,1-3H3
InChIKeyYPNKYKFHLZSIFK-UHFFFAOYSA-N
XLogP5.00
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 19242790) is 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is COc1ccc(CN2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1.
What is the InChIKey of 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is YPNKYKFHLZSIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-21(2)34(24-9-5-4-6-10-24)29(36)20-33-27-12-8-7-11-26(27)31-30(33)23-17-28(35)32(19-23)18-22-13-15-25(37-3)16-14-22/h4-16,21,23H,17-20H2,1-3H3.
What are the key properties of 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 496.61 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 19242790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).