1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride

C15H17ClN2O2 — CID 45259630

IUPAC1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CCC2CCn1ccnc1
InChIInChI=1S/C15H16N2O2.ClH/c18-15(19)14-3-1-2-12-11(4-5-13(12)14)6-8-17-9-7-16-10-17;/h1-3,7,9-11H,4-6,8H2,(H,18,19);1H
InChIKeyVNIDRLRMALFJAI-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.12
Rot. Bonds4

About 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride

1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride (PubChem CID 45259630) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride
PubChem CID45259630
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2c1CCC2CCn1ccnc1
InChIInChI=1S/C15H16N2O2.ClH/c18-15(19)14-3-1-2-12-11(4-5-13(12)14)6-8-17-9-7-16-10-17;/h1-3,7,9-11H,4-6,8H2,(H,18,19);1H
InChIKeyVNIDRLRMALFJAI-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride (CID 45259630) is 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2c1CCC2CCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride?
The InChIKey is VNIDRLRMALFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c18-15(19)14-3-1-2-12-11(4-5-13(12)14)6-8-17-9-7-16-10-17;/h1-3,7,9-11H,4-6,8H2,(H,18,19);1H.
What are the key properties of 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride?
1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-indene-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45259630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).