3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

C24H26N4O2 — CID 55859586

IUPAC3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H26N4O2/c1-17(2)23-25-11-13-27(23)16-18-6-3-8-20(14-18)26-24(30)19-7-4-9-21(15-19)28-12-5-10-22(28)29/h3-4,6-9,11,13-15,17H,5,10,12,16H2,1-2H3,(H,26,30)
InChIKeyUZYCJJZDKHXVKN-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.43
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (PubChem CID 55859586) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
PubChem CID55859586
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
SMILESCC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H26N4O2/c1-17(2)23-25-11-13-27(23)16-18-6-3-8-20(14-18)26-24(30)19-7-4-9-21(15-19)28-12-5-10-22(28)29/h3-4,6-9,11,13-15,17H,5,10,12,16H2,1-2H3,(H,26,30)
InChIKeyUZYCJJZDKHXVKN-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
1-methyl-6-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 47059179
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
4-(methylamino)-3-nitro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 47059181
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (CID 55859586) is 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?
The InChIKey is UZYCJJZDKHXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17(2)23-25-11-13-27(23)16-18-6-3-8-20(14-18)26-24(30)19-7-4-9-21(15-19)28-12-5-10-22(28)29/h3-4,6-9,11,13-15,17H,5,10,12,16H2,1-2H3,(H,26,30).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?
3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55859586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).