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

C15H18N4O — CID 110475376

IUPACN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)c3cnc[nH]3)cc2C1
InChIInChI=1S/C15H18N4O/c1-10(2)19-7-11-3-4-13(5-12(11)8-19)18-15(20)14-6-16-9-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyHTOZGKGLQORTLI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.39
Rot. Bonds3

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

N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide (PubChem CID 110475376) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide
PubChem CID110475376
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide
SMILESCC(C)N1Cc2ccc(NC(=O)c3cnc[nH]3)cc2C1
InChIInChI=1S/C15H18N4O/c1-10(2)19-7-11-3-4-13(5-12(11)8-19)18-15(20)14-6-16-9-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,20)
InChIKeyHTOZGKGLQORTLI-UHFFFAOYSA-N
XLogP2.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide (CID 110475376) is N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide is CC(C)N1Cc2ccc(NC(=O)c3cnc[nH]3)cc2C1.
What is the InChIKey of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide?
The InChIKey is HTOZGKGLQORTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)19-7-11-3-4-13(5-12(11)8-19)18-15(20)14-6-16-9-17-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)(H,18,20).
What are the key properties of N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide?
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110475376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).