N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide

C26H32N4O3 — CID 19242794

IUPACN-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32N4O3/c1-4-5-14-28(2)25(32)18-30-23-9-7-6-8-22(23)27-26(30)20-15-24(31)29(17-20)16-19-10-12-21(33-3)13-11-19/h6-13,20H,4-5,14-18H2,1-3H3
InChIKeyXYIYQQSVRKHYSN-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.82
Rot. Bonds9

About N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide

N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (PubChem CID 19242794) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
PubChem CID19242794
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C26H32N4O3/c1-4-5-14-28(2)25(32)18-30-23-9-7-6-8-22(23)27-26(30)20-15-24(31)29(17-20)16-19-10-12-21(33-3)13-11-19/h6-13,20H,4-5,14-18H2,1-3H3
InChIKeyXYIYQQSVRKHYSN-UHFFFAOYSA-N
XLogP3.82
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (CID 19242794) is N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is CCCCN(C)C(=O)Cn1c(C2CC(=O)N(Cc3ccc(OC)cc3)C2)nc2ccccc21.
What is the InChIKey of N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is XYIYQQSVRKHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-4-5-14-28(2)25(32)18-30-23-9-7-6-8-22(23)27-26(30)20-15-24(31)29(17-20)16-19-10-12-21(33-3)13-11-19/h6-13,20H,4-5,14-18H2,1-3H3.
What are the key properties of N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 448.57 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 19242794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).