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

C15H18N4O — CID 65262248

IUPACN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)C1CNCc2ccccc21
InChIInChI=1S/C15H18N4O/c20-15(18-6-8-19-7-5-16-11-19)14-10-17-9-12-3-1-2-4-13(12)14/h1-5,7,11,14,17H,6,8-10H2,(H,18,20)
InChIKeyOETHXKLYRDVRAK-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.89
Rot. Bonds4

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

N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65262248) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65262248
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)C1CNCc2ccccc21
InChIInChI=1S/C15H18N4O/c20-15(18-6-8-19-7-5-16-11-19)14-10-17-9-12-3-1-2-4-13(12)14/h1-5,7,11,14,17H,6,8-10H2,(H,18,20)
InChIKeyOETHXKLYRDVRAK-UHFFFAOYSA-N
XLogP0.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356078
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260981
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65262248) is N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCCn1ccnc1)C1CNCc2ccccc21.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is OETHXKLYRDVRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(18-6-8-19-7-5-16-11-19)14-10-17-9-12-3-1-2-4-13(12)14/h1-5,7,11,14,17H,6,8-10H2,(H,18,20).
What are the key properties of N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65262248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).