N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C13H14N4O — CID 65262068

IUPACN-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CNCc2ccccc21
InChIInChI=1S/C13H14N4O/c18-12(17-13-15-5-6-16-13)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H2,15,16,17,18)
InChIKeyMAKCISJTIAXLBO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.24
Rot. Bonds2

About N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262068) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262068
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CNCc2ccccc21
InChIInChI=1S/C13H14N4O/c18-12(17-13-15-5-6-16-13)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H2,15,16,17,18)
InChIKeyMAKCISJTIAXLBO-UHFFFAOYSA-N
XLogP1.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(1,2-oxazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262162
N-(thiadiazol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114912361
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 83021312
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(5-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79735984
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260736

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262068) is N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ncc[nH]1)C1CNCc2ccccc21.
What is the InChIKey of N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is MAKCISJTIAXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-12(17-13-15-5-6-16-13)11-8-14-7-9-3-1-2-4-10(9)11/h1-6,11,14H,7-8H2,(H2,15,16,17,18).
What are the key properties of N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.24, 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)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).