4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide

C21H21N5O2 — CID 72848168

IUPAC4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1CN1CCCC1=O
InChIInChI=1S/C21H21N5O2/c1-14-5-2-3-6-17(14)26-18(13-25-12-4-7-19(25)27)23-21(24-26)16-10-8-15(9-11-16)20(22)28/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H2,22,28)
InChIKeyPIGKSBREMZDIJF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.46
Rot. Bonds5

About 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide

4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 72848168) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID72848168
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESCc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1CN1CCCC1=O
InChIInChI=1S/C21H21N5O2/c1-14-5-2-3-6-17(14)26-18(13-25-12-4-7-19(25)27)23-21(24-26)16-10-8-15(9-11-16)20(22)28/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H2,22,28)
InChIKeyPIGKSBREMZDIJF-UHFFFAOYSA-N
XLogP2.46
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
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CID 117082227
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948040
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 14615409
4-[(2-oxopyrrolidin-1-yl)methyl-(2-phenylacetyl)amino]benzamide
CID 5179253
(3S)-3-[2-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97281709
N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45176025
1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 95316080
1-[[5-[2-(difluoromethyl)phenyl]-2-phenyl-1,2,4-triazol-3-yl]methyl]azocan-2-one
CID 167763709
4-[2-(2,6-dimethylphenyl)-5-(2-propan-2-ylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 139296596
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8726217

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide (CID 72848168) is 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)nc1CN1CCCC1=O.
What is the InChIKey of 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is PIGKSBREMZDIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-5-2-3-6-17(14)26-18(13-25-12-4-7-19(25)27)23-21(24-26)16-10-8-15(9-11-16)20(22)28/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H2,22,28).
What are the key properties of 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide?
4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylphenyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 72848168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).