2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

C14H15ClN2O2 — CID 70387531

IUPAC2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CC(Cc1ncc[nH]1)C2
InChIInChI=1S/C14H14N2O2.ClH/c17-14(18)11-2-1-10-5-9(6-12(10)8-11)7-13-15-3-4-16-13;/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18);1H
InChIKeyRNMWRMGDRZVAHY-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.49
Rot. Bonds3

About 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride

2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (PubChem CID 70387531) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
PubChem CID70387531
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)CC(Cc1ncc[nH]1)C2
InChIInChI=1S/C14H14N2O2.ClH/c17-14(18)11-2-1-10-5-9(6-12(10)8-11)7-13-15-3-4-16-13;/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18);1H
InChIKeyRNMWRMGDRZVAHY-UHFFFAOYSA-N
XLogP2.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride (CID 70387531) is 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)CC(Cc1ncc[nH]1)C2.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
The InChIKey is RNMWRMGDRZVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.ClH/c17-14(18)11-2-1-10-5-9(6-12(10)8-11)7-13-15-3-4-16-13;/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18);1H.
What are the key properties of 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride?
2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride has a molecular weight of 278.74 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 70387531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).