3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide

C20H20N6O2 — CID 49422566

IUPAC3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)cc2)n[nH]1
InChIInChI=1S/C20H20N6O2/c1-12-11-15(5-8-17(12)26-10-9-21-20(26)28)19(27)23-16-6-3-14(4-7-16)18-22-13(2)24-25-18/h3-8,11H,9-10H2,1-2H3,(H,21,28)(H,23,27)(H,22,24,25)
InChIKeyNLRXPWXTTBMIKR-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.87
Rot. Bonds4

About 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide

3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 49422566) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID49422566
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)cc2)n[nH]1
InChIInChI=1S/C20H20N6O2/c1-12-11-15(5-8-17(12)26-10-9-21-20(26)28)19(27)23-16-6-3-14(4-7-16)18-22-13(2)24-25-18/h3-8,11H,9-10H2,1-2H3,(H,21,28)(H,23,27)(H,22,24,25)
InChIKeyNLRXPWXTTBMIKR-UHFFFAOYSA-N
XLogP2.87
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide (CID 49422566) is 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide is Cc1nc(-c2ccc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)cc2)n[nH]1.
What is the InChIKey of 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is NLRXPWXTTBMIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-11-15(5-8-17(12)26-10-9-21-20(26)28)19(27)23-16-6-3-14(4-7-16)18-22-13(2)24-25-18/h3-8,11H,9-10H2,1-2H3,(H,21,28)(H,23,27)(H,22,24,25).
What are the key properties of 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide?
3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 49422566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).