N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide

C13H14N4O — CID 110466521

IUPACN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
SMILESCN1Cc2ccc(NC(=O)c3ncc[nH]3)cc2C1
InChIInChI=1S/C13H14N4O/c1-17-7-9-2-3-11(6-10(9)8-17)16-13(18)12-14-4-5-15-12/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18)
InChIKeyZNTVSMYWHAJXPR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.61
Rot. Bonds2

About N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide

N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide (PubChem CID 110466521) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
PubChem CID110466521
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
SMILESCN1Cc2ccc(NC(=O)c3ncc[nH]3)cc2C1
InChIInChI=1S/C13H14N4O/c1-17-7-9-2-3-11(6-10(9)8-17)16-13(18)12-14-4-5-15-12/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18)
InChIKeyZNTVSMYWHAJXPR-UHFFFAOYSA-N
XLogP1.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide (CID 110466521) is N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide is CN1Cc2ccc(NC(=O)c3ncc[nH]3)cc2C1.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide?
The InChIKey is ZNTVSMYWHAJXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17-7-9-2-3-11(6-10(9)8-17)16-13(18)12-14-4-5-15-12/h2-6H,7-8H2,1H3,(H,14,15)(H,16,18).
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide?
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 110466521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).