2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide

C15H14N4S — CID 62308177

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4S/c1-9-6-7-10(14(16)17)13(8-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyOQXHRJDSUGTHAR-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.31
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide

2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide (PubChem CID 62308177) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
PubChem CID62308177
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Sc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4S/c1-9-6-7-10(14(16)17)13(8-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19)
InChIKeyOQXHRJDSUGTHAR-UHFFFAOYSA-N
XLogP3.31
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 28602002
4-methyl-2-pyrimidin-2-ylsulfanylbenzenecarboximidamide
CID 62306812
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
4-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 65043483
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 62873912
3-(1H-benzimidazol-2-ylsulfanyl)pyrazine-2-carboximidamide
CID 62683553
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
2-benzylsulfanyl-4-methylbenzenecarboximidamide
CID 62307832
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide (CID 62308177) is 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Sc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide?
The InChIKey is OQXHRJDSUGTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-9-6-7-10(14(16)17)13(8-9)20-15-18-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H3,16,17)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide?
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide has a molecular weight of 282.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62308177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).