1-(1H-imidazol-2-yl)-2-phenylethanethione

C11H10N2S — CID 88742838

IUPAC1-(1H-imidazol-2-yl)-2-phenylethanethione
SMILESS=C(Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C11H10N2S/c14-10(11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyZWAPSQZYHFAEIF-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.37
Rot. Bonds3

About 1-(1H-imidazol-2-yl)-2-phenylethanethione

1-(1H-imidazol-2-yl)-2-phenylethanethione (PubChem CID 88742838) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-phenylethanethione.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-phenylethanethione
PubChem CID88742838
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name1-(1H-imidazol-2-yl)-2-phenylethanethione
SMILESS=C(Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C11H10N2S/c14-10(11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKeyZWAPSQZYHFAEIF-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1H-imidazol-2-yl)-2-phenylethanethione 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-Phenylimidazole
CID 69591
4-benzyl-1H-imidazole
CID 594090
2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-1H-imidazole
CID 17804479
3-[4-(1H-imidazol-4-yl)butyl]-1-(2-phenylethyl)thiourea
CID 10017821
2-Benzyl-1h-imidazole
CID 240539
Fub 349
CID 9990388
2-(4-Methylphenyl)-1H-imidazole
CID 594045
2-(1H-imidazol-1-yl)-1-phenylethan-1-amine
CID 5195236
1-Phenethylimidazole
CID 10219621
(1-methyl-1H-imidazol-2-yl)(phenyl)methanamine
CID 16226802
[(3-Imidazolylpropyl)amino][benzylamino]methane-1-thione
CID 5153417
Thioamide deriv. 71
CID 6539208

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-phenylethanethione?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-phenylethanethione (CID 88742838) is 1-(1H-imidazol-2-yl)-2-phenylethanethione.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-phenylethanethione?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-phenylethanethione is S=C(Cc1ccccc1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-phenylethanethione?
The InChIKey is ZWAPSQZYHFAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c14-10(11-12-6-7-13-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-2-yl)-2-phenylethanethione?
1-(1H-imidazol-2-yl)-2-phenylethanethione has a molecular weight of 202.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-phenylethanethione is sourced from PubChem (CID 88742838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).