2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid

C16H18N2O2 — CID 65172704

IUPAC2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1CC1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11-17-9-15(16(19)20)18(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,19,20)
InChIKeyZZZHVGZTVCIDDM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid

2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid (PubChem CID 65172704) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
PubChem CID65172704
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid
SMILESCc1ncc(C(=O)O)n1CC1CCCc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-11-17-9-15(16(19)20)18(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,19,20)
InChIKeyZZZHVGZTVCIDDM-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid (CID 65172704) is 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid is Cc1ncc(C(=O)O)n1CC1CCCc2ccccc21.
What is the InChIKey of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
The InChIKey is ZZZHVGZTVCIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-17-9-15(16(19)20)18(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-3,5,8-9,13H,4,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid?
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 65172704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).