1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide

C14H15N3O — CID 173080411

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1CCCc2ccccc21
InChIInChI=1S/C14H15N3O/c15-13(18)14-16-8-9-17(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,18)
InChIKeyXXNQBHGAVQJXLT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.91
Rot. Bonds2

About 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide

1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide (PubChem CID 173080411) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
PubChem CID173080411
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide
SMILESNC(=O)c1nccn1C1CCCc2ccccc21
InChIInChI=1S/C14H15N3O/c15-13(18)14-16-8-9-17(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,18)
InChIKeyXXNQBHGAVQJXLT-UHFFFAOYSA-N
XLogP1.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide (CID 173080411) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide is NC(=O)c1nccn1C1CCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
The InChIKey is XXNQBHGAVQJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-13(18)14-16-8-9-17(14)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12H,3,5,7H2,(H2,15,18).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-2-carboxamide is sourced from PubChem (CID 173080411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).