6-methoxy-2-propylsulfanyl-1H-benzimidazole

C11H14N2OS — CID 2650025

IUPAC6-methoxy-2-propylsulfanyl-1H-benzimidazole
SMILESCCCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H14N2OS/c1-3-6-15-11-12-9-5-4-8(14-2)7-10(9)13-11/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyTYVFYXGXKSBOIK-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.07
Rot. Bonds4

About 6-methoxy-2-propylsulfanyl-1H-benzimidazole

6-methoxy-2-propylsulfanyl-1H-benzimidazole (PubChem CID 2650025) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methoxy-2-propylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-propylsulfanyl-1H-benzimidazole
PubChem CID2650025
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-methoxy-2-propylsulfanyl-1H-benzimidazole
SMILESCCCSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H14N2OS/c1-3-6-15-11-12-9-5-4-8(14-2)7-10(9)13-11/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyTYVFYXGXKSBOIK-UHFFFAOYSA-N
XLogP3.07
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
2-(2-azidoethylsulfanyl)-6-methoxy-1H-benzimidazole
CID 61397241
N,N-dimethyl-2-[(2-propylsulfanyl-3H-benzimidazol-5-yl)oxy]ethanamine
CID 70810022
6-methoxy-2-[2-(3-methylbutoxy)ethylsulfanyl]-1H-benzimidazole
CID 52695113
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]prop-2-yn-1-amine
CID 62583192
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butanoic acid;hydrobromide
CID 141040481
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]cyclopropanamine
CID 61386508
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propylsulfanyl-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-propylsulfanyl-1H-benzimidazole (CID 2650025) is 6-methoxy-2-propylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-propylsulfanyl-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-propylsulfanyl-1H-benzimidazole is CCCSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 6-methoxy-2-propylsulfanyl-1H-benzimidazole?
The InChIKey is TYVFYXGXKSBOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-6-15-11-12-9-5-4-8(14-2)7-10(9)13-11/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 6-methoxy-2-propylsulfanyl-1H-benzimidazole?
6-methoxy-2-propylsulfanyl-1H-benzimidazole has a molecular weight of 222.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 2650025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).