6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid

C17H14N2O2 — CID 137435694

IUPAC6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-n3cnc(C4CC4)c3)ccc2c1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-4-3-13-8-15(6-5-12(13)7-14)19-9-16(18-10-19)11-1-2-11/h3-11H,1-2H2,(H,20,21)
InChIKeyIZEBGVBBRPOZCR-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.60
Rot. Bonds3

About 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid

6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid (PubChem CID 137435694) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid
PubChem CID137435694
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(-n3cnc(C4CC4)c3)ccc2c1
InChIInChI=1S/C17H14N2O2/c20-17(21)14-4-3-13-8-15(6-5-12(13)7-14)19-9-16(18-10-19)11-1-2-11/h3-11H,1-2H2,(H,20,21)
InChIKeyIZEBGVBBRPOZCR-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid
CID 142499862
3-[4-(1-acetylpiperidin-4-yl)imidazol-1-yl]benzoic acid
CID 174718580
ethyl 6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylate
CID 142499848
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097
7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 147958590
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid
CID 161154309
2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid (CID 137435694) is 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(-n3cnc(C4CC4)c3)ccc2c1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid?
The InChIKey is IZEBGVBBRPOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21)14-4-3-13-8-15(6-5-12(13)7-14)19-9-16(18-10-19)11-1-2-11/h3-11H,1-2H2,(H,20,21).
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid?
6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 137435694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).