6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid

C16H16N2O2 — CID 19767962

IUPAC6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid
SMILESCC1=C(Cn2ccnc2)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H16N2O2/c1-11-14(9-18-7-6-17-10-18)3-2-12-8-13(16(19)20)4-5-15(11)12/h4-8,10H,2-3,9H2,1H3,(H,19,20)
InChIKeyBAGBOOMSNUXXRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.00
Rot. Bonds3

About 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid

6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid (PubChem CID 19767962) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid
PubChem CID19767962
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid
SMILESCC1=C(Cn2ccnc2)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H16N2O2/c1-11-14(9-18-7-6-17-10-18)3-2-12-8-13(16(19)20)4-5-15(11)12/h4-8,10H,2-3,9H2,1H3,(H,19,20)
InChIKeyBAGBOOMSNUXXRA-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid (CID 19767962) is 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid is CC1=C(Cn2ccnc2)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid?
The InChIKey is BAGBOOMSNUXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-14(9-18-7-6-17-10-18)3-2-12-8-13(16(19)20)4-5-15(11)12/h4-8,10H,2-3,9H2,1H3,(H,19,20).
What are the key properties of 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid?
6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)-5-methyl-7,8-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 19767962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).