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

C14H16N4O — CID 103510823

IUPAC3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C14H16N4O/c1-18-9-16-8-13(18)14(19)17-12-4-2-3-10-5-6-15-7-11(10)12/h2-4,8-9,15H,5-7H2,1H3,(H,17,19)
InChIKeyYOALOINJXMUTFP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.32
Rot. Bonds2

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

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide (PubChem CID 103510823) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
PubChem CID103510823
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C14H16N4O/c1-18-9-16-8-13(18)14(19)17-12-4-2-3-10-5-6-15-7-11(10)12/h2-4,8-9,15H,5-7H2,1H3,(H,17,19)
InChIKeyYOALOINJXMUTFP-UHFFFAOYSA-N
XLogP1.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide (CID 103510823) is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide?
The InChIKey is YOALOINJXMUTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-9-16-8-13(18)14(19)17-12-4-2-3-10-5-6-15-7-11(10)12/h2-4,8-9,15H,5-7H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide?
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide is sourced from PubChem (CID 103510823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).