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

C19H18N2O2S — CID 2772440

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C19H18N2O2S/c1-2-15(18(22)23)24-19-20-16(13-9-5-3-6-10-13)17(21-19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyAWXDXVRABYWFCX-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.70
Rot. Bonds6

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

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid (PubChem CID 2772440) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid
PubChem CID2772440
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid
SMILESCCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O
InChIInChI=1S/C19H18N2O2S/c1-2-15(18(22)23)24-19-20-16(13-9-5-3-6-10-13)17(21-19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyAWXDXVRABYWFCX-UHFFFAOYSA-N
XLogP4.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.70
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]butanoic acid?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid (CID 2772440) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid is CCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)O.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid?
The InChIKey is AWXDXVRABYWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-15(18(22)23)24-19-20-16(13-9-5-3-6-10-13)17(21-19)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanoic acid has a molecular weight of 338.43 g/mol, XLogP of 4.70, 6 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]butanoic acid is sourced from PubChem (CID 2772440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).