N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide

C19H24N6O2 — CID 70774243

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C)Cc2nccn2C)c(=O)n1CCc1ccccc1
InChIInChI=1S/C19H24N6O2/c1-15-21-25(14-18(26)23(3)13-17-20-10-12-22(17)2)19(27)24(15)11-9-16-7-5-4-6-8-16/h4-8,10,12H,9,11,13-14H2,1-3H3
InChIKeyNIGIMJISWPXGNJ-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.99
Rot. Bonds7

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 70774243) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID70774243
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCc1nn(CC(=O)N(C)Cc2nccn2C)c(=O)n1CCc1ccccc1
InChIInChI=1S/C19H24N6O2/c1-15-21-25(14-18(26)23(3)13-17-20-10-12-22(17)2)19(27)24(15)11-9-16-7-5-4-6-8-16/h4-8,10,12H,9,11,13-14H2,1-3H3
InChIKeyNIGIMJISWPXGNJ-UHFFFAOYSA-N
XLogP0.99
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 70755597
N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70736244
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
(4S)-N,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-4-(2-phenylethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95209591
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 70734854
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70759488
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 166281423
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
3-[[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 136558257
2-[2-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70705389

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide (CID 70774243) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide is Cc1nn(CC(=O)N(C)Cc2nccn2C)c(=O)n1CCc1ccccc1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is NIGIMJISWPXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-15-21-25(14-18(26)23(3)13-17-20-10-12-22(17)2)19(27)24(15)11-9-16-7-5-4-6-8-16/h4-8,10,12H,9,11,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 70774243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).