2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid

C18H22N2O2S — CID 20711595

IUPAC2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid
SMILESCn1ccnc1SCc1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-20-11-10-19-18(20)23-12-13-6-8-15(9-7-13)16(17(21)22)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3,(H,21,22)
InChIKeyZUZQUKKTJUVMTD-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid

2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid (PubChem CID 20711595) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid
PubChem CID20711595
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid
SMILESCn1ccnc1SCc1ccc(C(C(=O)O)C2CCCC2)cc1
InChIInChI=1S/C18H22N2O2S/c1-20-11-10-19-18(20)23-12-13-6-8-15(9-7-13)16(17(21)22)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3,(H,21,22)
InChIKeyZUZQUKKTJUVMTD-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]phenyl]acetic acid
CID 20668744
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 124690767
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60555051
N-(2-amino-1-cyclohexylethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119589563
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(4-pyrrolidin-1-ylbutyl)benzamide
CID 39082778
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
[3-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 39074526
1-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47124411
(4-aminopiperidin-1-yl)-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone;dihydrochloride
CID 119373580
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
CID 97023508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid (CID 20711595) is 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid is Cn1ccnc1SCc1ccc(C(C(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid?
The InChIKey is ZUZQUKKTJUVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20-11-10-19-18(20)23-12-13-6-8-15(9-7-13)16(17(21)22)14-4-2-3-5-14/h6-11,14,16H,2-5,12H2,1H3,(H,21,22).
What are the key properties of 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid?
2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid has a molecular weight of 330.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]phenyl]acetic acid is sourced from PubChem (CID 20711595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).