2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid

C19H19N3O2S — CID 68886449

IUPAC2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCSc1ccc(-c2ccc(-c3cnc(CCNC(=O)O)[nH]3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-25-16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-12-21-18(22-17)10-11-20-19(23)24/h2-9,12,20H,10-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyBQWZEPBYXGTGSG-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.28
Rot. Bonds6

About 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid

2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (PubChem CID 68886449) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
PubChem CID68886449
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
SMILESCSc1ccc(-c2ccc(-c3cnc(CCNC(=O)O)[nH]3)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-25-16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-12-21-18(22-17)10-11-20-19(23)24/h2-9,12,20H,10-11H2,1H3,(H,21,22)(H,23,24)
InChIKeyBQWZEPBYXGTGSG-UHFFFAOYSA-N
XLogP4.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine
CID 9841863
butyl N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]carbamate
CID 9902686
butyl N-[2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 9944729
butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 10268393
Butyl 2-(4-[1,1'-biphenyl]-4-yl-1h-imidazol-2-yl)ethylcarbamate
CID 16725892
tert-butyl N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 44439648
tert-butyl2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate
CID 44439649
tert-butyl N-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propyl]carbamate
CID 44439650
methyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439652
ethyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439653
propyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439654
2-methylpropyl N-[2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 44439655

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid (CID 68886449) is 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is CSc1ccc(-c2ccc(-c3cnc(CCNC(=O)O)[nH]3)cc2)cc1.
What is the InChIKey of 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
The InChIKey is BQWZEPBYXGTGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-25-16-8-6-14(7-9-16)13-2-4-15(5-3-13)17-12-21-18(22-17)10-11-20-19(23)24/h2-9,12,20H,10-11H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid?
2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid has a molecular weight of 353.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(4-methylsulfanylphenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid is sourced from PubChem (CID 68886449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).