6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole

C17H16N2S — CID 5074084

IUPAC6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCC=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H16N2S/c1-13-9-10-15-16(12-13)19-17(18-15)20-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLDDIOKFCBUHYHS-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.68
Rot. Bonds4

About 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole

6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole (PubChem CID 5074084) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
PubChem CID5074084
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole
SMILESCc1ccc2nc(SCC=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H16N2S/c1-13-9-10-15-16(12-13)19-17(18-15)20-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLDDIOKFCBUHYHS-UHFFFAOYSA-N
XLogP4.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetaldehyde
CID 62875439
4-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 135495034
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
2-[(E)-3-phenylprop-2-enyl]sulfanyl-3H-quinazolin-4-one
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6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
CID 18879551
6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine
CID 2048162
6-methyl-2-(4-naphthalen-2-yloxybutylsulfanyl)-1H-benzimidazole
CID 18879565
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 28914466
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
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2-(2-bromoprop-2-enylsulfanyl)-6-methyl-1H-benzimidazole
CID 923736

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole (CID 5074084) is 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole is Cc1ccc2nc(SCC=Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole?
The InChIKey is LDDIOKFCBUHYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13-9-10-15-16(12-13)19-17(18-15)20-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole?
6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole has a molecular weight of 280.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 5074084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).