1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole

C15H13FN2S — CID 690627

IUPAC1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C15H13FN2S/c1-19-15-17-13-8-4-5-9-14(13)18(15)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyRAOPIGQCQRPEEQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.95
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole

1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole (PubChem CID 690627) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
PubChem CID690627
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
SMILESCSc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C15H13FN2S/c1-19-15-17-13-8-4-5-9-14(13)18(15)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyRAOPIGQCQRPEEQ-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
N,N-diethyl-2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 43814509
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629105
(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
CID 67563513
2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 1470375
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole (CID 690627) is 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole is CSc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole?
The InChIKey is RAOPIGQCQRPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-19-15-17-13-8-4-5-9-14(13)18(15)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole?
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole has a molecular weight of 272.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 690627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).