N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

C12H12N4O — CID 103998937

IUPACN-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H12N4O/c17-11(16-12-14-3-4-15-12)8-1-2-9-6-13-7-10(9)5-8/h1-5,13H,6-7H2,(H2,14,15,16,17)
InChIKeyFCUACTUKXIIVAT-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.27
Rot. Bonds2

About N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998937) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998937
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC NameN-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1ccc2c(c1)CNC2
InChIInChI=1S/C12H12N4O/c17-11(16-12-14-3-4-15-12)8-1-2-9-6-13-7-10(9)5-8/h1-5,13H,6-7H2,(H2,14,15,16,17)
InChIKeyFCUACTUKXIIVAT-UHFFFAOYSA-N
XLogP1.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(1H-imidazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60968095
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
3,5-dibromo-N-(1H-imidazol-2-yl)benzamide
CID 103910174
4-(carbamoylamino)-N-(1H-imidazol-2-yl)benzamide
CID 55027633
4-amino-3,5-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 82832514
4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
CID 102851678
N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998325
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998937) is N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1ncc[nH]1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is FCUACTUKXIIVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-11(16-12-14-3-4-15-12)8-1-2-9-6-13-7-10(9)5-8/h1-5,13H,6-7H2,(H2,14,15,16,17).
What are the key properties of N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).