6-methylsulfanyl-2-propyl-1H-benzimidazole

C11H14N2S — CID 25213187

IUPAC6-methylsulfanyl-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(SC)cc2[nH]1
InChIInChI=1S/C11H14N2S/c1-3-4-11-12-9-6-5-8(14-2)7-10(9)13-11/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyRHWMWASSRYEBJB-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.24
Rot. Bonds3

About 6-methylsulfanyl-2-propyl-1H-benzimidazole

6-methylsulfanyl-2-propyl-1H-benzimidazole (PubChem CID 25213187) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 6-methylsulfanyl-2-propyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methylsulfanyl-2-propyl-1H-benzimidazole
PubChem CID25213187
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name6-methylsulfanyl-2-propyl-1H-benzimidazole
SMILESCCCc1nc2ccc(SC)cc2[nH]1
InChIInChI=1S/C11H14N2S/c1-3-4-11-12-9-6-5-8(14-2)7-10(9)13-11/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyRHWMWASSRYEBJB-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
2-chloro-6-methylsulfanyl-1H-benzimidazole
CID 18799430
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
2-ethylsulfanyl-1-(2-propyl-3H-benzimidazol-5-yl)ethanone
CID 82052710
2-butyl-3H-benzimidazol-5-amine
CID 23301932
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
3-methyl-2-[(2-propyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816308
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-propyl-1H-benzimidazole?
The IUPAC name of 6-methylsulfanyl-2-propyl-1H-benzimidazole (CID 25213187) is 6-methylsulfanyl-2-propyl-1H-benzimidazole.
What is the SMILES notation for 6-methylsulfanyl-2-propyl-1H-benzimidazole?
The canonical SMILES for 6-methylsulfanyl-2-propyl-1H-benzimidazole is CCCc1nc2ccc(SC)cc2[nH]1.
What is the InChIKey of 6-methylsulfanyl-2-propyl-1H-benzimidazole?
The InChIKey is RHWMWASSRYEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-4-11-12-9-6-5-8(14-2)7-10(9)13-11/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-methylsulfanyl-2-propyl-1H-benzimidazole?
6-methylsulfanyl-2-propyl-1H-benzimidazole has a molecular weight of 206.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-propyl-1H-benzimidazole is sourced from PubChem (CID 25213187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).