N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide

C15H18N4O — CID 110474684

IUPACN-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCN1Cc2ccc(NC(=O)Cc3nccn3C)cc2C1
InChIInChI=1S/C15H18N4O/c1-18-9-11-3-4-13(7-12(11)10-18)17-15(20)8-14-16-5-6-19(14)2/h3-7H,8-10H2,1-2H3,(H,17,20)
InChIKeyXULOUERNABXENE-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.55
Rot. Bonds3

About N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide

N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide (PubChem CID 110474684) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
PubChem CID110474684
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide
SMILESCN1Cc2ccc(NC(=O)Cc3nccn3C)cc2C1
InChIInChI=1S/C15H18N4O/c1-18-9-11-3-4-13(7-12(11)10-18)17-15(20)8-14-16-5-6-19(14)2/h3-7H,8-10H2,1-2H3,(H,17,20)
InChIKeyXULOUERNABXENE-UHFFFAOYSA-N
XLogP1.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474626
2-(1-methylimidazol-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110474647
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
N-(4-amino-1-methylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide
CID 165030580
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
CID 110466521
N-(1,4-dimethylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)acetamide;ethane
CID 142326899
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
2-(1-methylimidazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110474589
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide (CID 110474684) is N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide is CN1Cc2ccc(NC(=O)Cc3nccn3C)cc2C1.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide?
The InChIKey is XULOUERNABXENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-9-11-3-4-13(7-12(11)10-18)17-15(20)8-14-16-5-6-19(14)2/h3-7H,8-10H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide?
N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-yl)-2-(1-methylimidazol-2-yl)acetamide is sourced from PubChem (CID 110474684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).