2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide

C16H16N4S — CID 62873912

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H16N4S/c1-10-6-7-13-14(8-10)20-16(19-13)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3,(H3,17,18)(H,19,20)
InChIKeyVWLYODSVMDBPEQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.45
Rot. Bonds4

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide (PubChem CID 62873912) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
PubChem CID62873912
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C16H16N4S/c1-10-6-7-13-14(8-10)20-16(19-13)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3,(H3,17,18)(H,19,20)
InChIKeyVWLYODSVMDBPEQ-UHFFFAOYSA-N
XLogP3.45
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.45
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-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 28914466
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-ol
CID 64806306
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
CID 54496754
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100
2-[[4-[2-(3-carbamimidoylphenyl)ethyl]phenyl]methylsulfanyl]-3H-benzimidazole-5-carboximidamide
CID 139854690
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613957
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 28602002

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide (CID 62873912) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
The InChIKey is VWLYODSVMDBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10-6-7-13-14(8-10)20-16(19-13)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3,(H3,17,18)(H,19,20).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide has a molecular weight of 296.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzenecarboximidamide is sourced from PubChem (CID 62873912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).