N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H24N4O3 — CID 154681697

IUPACN-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(-c2cnc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2C)ccc1O
InChIInChI=1S/C23H24N4O3/c1-15-11-17(8-9-20(15)28)19-13-24-23(26(19)2)25-22(30)18-6-3-5-16(12-18)14-27-10-4-7-21(27)29/h3,5-6,8-9,11-13,28H,4,7,10,14H2,1-2H3,(H,24,25,30)
InChIKeyCZDOJFUMUDUMPX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.48
Rot. Bonds5

About N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 154681697) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID154681697
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cc(-c2cnc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2C)ccc1O
InChIInChI=1S/C23H24N4O3/c1-15-11-17(8-9-20(15)28)19-13-24-23(26(19)2)25-22(30)18-6-3-5-16(12-18)14-27-10-4-7-21(27)29/h3,5-6,8-9,11-13,28H,4,7,10,14H2,1-2H3,(H,24,25,30)
InChIKeyCZDOJFUMUDUMPX-UHFFFAOYSA-N
XLogP3.48
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-propyl]-4-(1H-imidazol-2-yl)-benzamide
CID 135962022
N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-4-(1H-imidazol-2-yl)-benzamide
CID 136058187
N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-4-(3H-imidazol-4-yl)-benzamide
CID 136058188
5-Hydroxy-8,15,17,25,29-pentazahexacyclo[23.3.1.12,6.119,23.08,16.09,14]hentriaconta-1(29),2(31),3,5,9,11,13,15,19,21,23(30),27-dodecaene-18,26-dione
CID 136074299
(4-(3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl)phenyl)(4-methylpiperazin-1-yl)methanone
CID 136623815
3-[3-(4-hydroxyphenyl) imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethyl-benzamide
CID 137120130
4-fluoro-N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096853
2-Hydroxy-5-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 134149357
N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-propyl]-4-(3H-imidazol-4-yl)-benzamide
CID 136058177
1-[4-[4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzoyl]piperazin-1-yl]ethanone
CID 145964697
4-[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 145966011
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 134369561

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 154681697) is N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cc(-c2cnc(NC(=O)c3cccc(CN4CCCC4=O)c3)n2C)ccc1O.
What is the InChIKey of N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is CZDOJFUMUDUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-11-17(8-9-20(15)28)19-13-24-23(26(19)2)25-22(30)18-6-3-5-16(12-18)14-27-10-4-7-21(27)29/h3,5-6,8-9,11-13,28H,4,7,10,14H2,1-2H3,(H,24,25,30).
What are the key properties of N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxy-3-methylphenyl)-1-methylimidazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 154681697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).