N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide

C13H14N4O — CID 114491058

IUPACN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cnc[nH]1
InChIInChI=1S/C13H14N4O/c18-13(12-7-15-8-16-12)17-11-3-1-2-9-4-5-14-6-10(9)11/h1-3,7-8,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyHJSQAFYYDIZMPP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.31
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide (PubChem CID 114491058) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
PubChem CID114491058
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide
SMILESO=C(Nc1cccc2c1CNCC2)c1cnc[nH]1
InChIInChI=1S/C13H14N4O/c18-13(12-7-15-8-16-12)17-11-3-1-2-9-4-5-14-6-10(9)11/h1-3,7-8,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyHJSQAFYYDIZMPP-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491001
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 70303028
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 114491042
4-bromo-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490823
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyrazine-2-carboxamide
CID 114490944
N-naphthalen-1-yl-1H-imidazole-5-carboxamide
CID 110475305
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
5-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-1,2,4-triazole-3-carboxamide
CID 114490800
4-bromo-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114490903
6-oxo-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166196518

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide (CID 114491058) is N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide is O=C(Nc1cccc2c1CNCC2)c1cnc[nH]1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide?
The InChIKey is HJSQAFYYDIZMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(12-7-15-8-16-12)17-11-3-1-2-9-4-5-14-6-10(9)11/h1-3,7-8,14H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide?
N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 114491058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).