2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole

C15H13FN2S — CID 708450

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(SCc3ccccc3F)nc12
InChIInChI=1S/C15H13FN2S/c1-10-5-4-8-13-14(10)18-15(17-13)19-9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRMEISWATNNUQDR-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.30
Rot. Bonds3

About 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole

2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole (PubChem CID 708450) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
PubChem CID708450
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(SCc3ccccc3F)nc12
InChIInChI=1S/C15H13FN2S/c1-10-5-4-8-13-14(10)18-15(17-13)19-9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRMEISWATNNUQDR-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
6-[(4-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 22394114
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(2-methylphenyl)methylsulfanyl]-3H-naphtho[3,2-e]benzimidazole-6,11-dione
CID 53357961
2-[(4-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 14578637
ethyl 2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetate
CID 71296297
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-methyl-1H-benzimidazole;hydrochloride
CID 18593278
2-[(2,3-difluorophenyl)methylsulfanyl]-5,6-difluoro-1H-benzimidazole
CID 52559013
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1H-benzimidazole
CID 880516
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole (CID 708450) is 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(SCc3ccccc3F)nc12.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole?
The InChIKey is RMEISWATNNUQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10-5-4-8-13-14(10)18-15(17-13)19-9-11-6-2-3-7-12(11)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole?
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).