2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

C15H13FN2OS — CID 7756067

IUPAC2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc(F)cc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13FN2OS/c1-19-14-7-6-11(16)8-10(14)9-20-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKCLMODXUHHIMQQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.00
Rot. Bonds4

About 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 7756067) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID7756067
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc(F)cc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C15H13FN2OS/c1-19-14-7-6-11(16)8-10(14)9-20-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKCLMODXUHHIMQQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 11573605
[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765032
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
CID 173285407
8-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyquinoline
CID 19866676
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
1-[(E)-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyphenyl]methylideneamino]-3-phenylthiourea
CID 6878732
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 16539520

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 7756067) is 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1ccc(F)cc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is KCLMODXUHHIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-19-14-7-6-11(16)8-10(14)9-20-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole?
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 7756067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).