2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride

C17H15ClN2O2S — CID 16682095

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride
SMILESCl.O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2O2S.ClH/c20-14(21)11-22-17-18-15(12-7-3-1-4-8-12)16(19-17)13-9-5-2-6-10-13;/h1-10H,11H2,(H,18,19)(H,20,21);1H
InChIKeyDJZSMPHBAWXHGM-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.34
Rot. Bonds5

About 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride (PubChem CID 16682095) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride
PubChem CID16682095
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride
SMILESCl.O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C17H14N2O2S.ClH/c20-14(21)11-22-17-18-15(12-7-3-1-4-8-12)16(19-17)13-9-5-2-6-10-13;/h1-10H,11H2,(H,18,19)(H,20,21);1H
InChIKeyDJZSMPHBAWXHGM-UHFFFAOYSA-N
XLogP4.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride (CID 16682095) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride is Cl.O=C(O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride?
The InChIKey is DJZSMPHBAWXHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S.ClH/c20-14(21)11-22-17-18-15(12-7-3-1-4-8-12)16(19-17)13-9-5-2-6-10-13;/h1-10H,11H2,(H,18,19)(H,20,21);1H.
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride has a molecular weight of 346.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid;hydrochloride is sourced from PubChem (CID 16682095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).