4-methyl-1,3-dihydrobenzimidazole-2-thione

C8H8N2S — CID 3034478

IUPAC4-methyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyUDQCDDZBBZNIFA-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.53
Rot. Bonds

About 4-methyl-1,3-dihydrobenzimidazole-2-thione

4-methyl-1,3-dihydrobenzimidazole-2-thione (PubChem CID 3034478) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methyl-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name4-methyl-1,3-dihydrobenzimidazole-2-thione
PubChem CID3034478
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-methyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1cccc2[nH]c(=S)[nH]c12
InChIInChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyUDQCDDZBBZNIFA-UHFFFAOYSA-N
XLogP2.53
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Mercaptobenzimidazole
CID 707035
N-(2-Methylphenyl)thiourea
CID 2787703
Thiourea, (3-methylphenyl)-
CID 701727
Methiuron
CID 3034319
1-Methyl-1H-benzimidazole-2-thiol
CID 1522244
1,3-Dihydro-2H-naphth(2,3-d)imidazole-2-thione
CID 935396
5-Methylbenzimidazolone
CID 223134
(5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
CID 3000236
4-Methyl-1,3-dihydrobenzimidazole-2-thione;ZINC
CID 57358321
1-Ethyl-1H-benzimidazole-2-thiol
CID 755555
2H-Benzimidazole-2-thione, 1,3-dihydro-5-methyl-
CID 712373
6,6'-methylenebis(1H-benzimidazole-2-thiol)
CID 802901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 4-methyl-1,3-dihydrobenzimidazole-2-thione (CID 3034478) is 4-methyl-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 4-methyl-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 4-methyl-1,3-dihydrobenzimidazole-2-thione is Cc1cccc2[nH]c(=S)[nH]c12.
What is the InChIKey of 4-methyl-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is UDQCDDZBBZNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 4-methyl-1,3-dihydrobenzimidazole-2-thione?
4-methyl-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 164.23 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 3034478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).