(6-methyl-1H-benzimidazol-2-yl)thiourea

C9H10N4S — CID 6917301

IUPAC(6-methyl-1H-benzimidazol-2-yl)thiourea
SMILESCc1ccc2nc(NC(N)=S)[nH]c2c1
InChIInChI=1S/C9H10N4S/c1-5-2-3-6-7(4-5)12-9(11-6)13-8(10)14/h2-4H,1H3,(H4,10,11,12,13,14)
InChIKeyQTTPXPILGHGPQI-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.53
Rot. Bonds1

About (6-methyl-1H-benzimidazol-2-yl)thiourea

(6-methyl-1H-benzimidazol-2-yl)thiourea (PubChem CID 6917301) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is (6-methyl-1H-benzimidazol-2-yl)thiourea.

Molecular Properties

Compound Name(6-methyl-1H-benzimidazol-2-yl)thiourea
PubChem CID6917301
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name(6-methyl-1H-benzimidazol-2-yl)thiourea
SMILESCc1ccc2nc(NC(N)=S)[nH]c2c1
InChIInChI=1S/C9H10N4S/c1-5-2-3-6-7(4-5)12-9(11-6)13-8(10)14/h2-4H,1H3,(H4,10,11,12,13,14)
InChIKeyQTTPXPILGHGPQI-UHFFFAOYSA-N
XLogP1.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
CID 169357931
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
CID 169214807
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
6-methyl-N-(1-phenylethyl)-1H-benzimidazol-2-amine
CID 45017469
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 140778587
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-benzimidazol-2-yl)thiourea?
The IUPAC name of (6-methyl-1H-benzimidazol-2-yl)thiourea (CID 6917301) is (6-methyl-1H-benzimidazol-2-yl)thiourea.
What is the SMILES notation for (6-methyl-1H-benzimidazol-2-yl)thiourea?
The canonical SMILES for (6-methyl-1H-benzimidazol-2-yl)thiourea is Cc1ccc2nc(NC(N)=S)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-benzimidazol-2-yl)thiourea?
The InChIKey is QTTPXPILGHGPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-5-2-3-6-7(4-5)12-9(11-6)13-8(10)14/h2-4H,1H3,(H4,10,11,12,13,14).
What are the key properties of (6-methyl-1H-benzimidazol-2-yl)thiourea?
(6-methyl-1H-benzimidazol-2-yl)thiourea has a molecular weight of 206.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-benzimidazol-2-yl)thiourea is sourced from PubChem (CID 6917301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).