2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole

C21H16ClFN2S — CID 18878248

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H16ClFN2S/c22-16-9-11-17(12-10-16)26-14-21-24-19-7-3-4-8-20(19)25(21)13-15-5-1-2-6-18(15)23/h1-12H,13-14H2
InChIKeyNLTMNDAMHYUFRC-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.17
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole

2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole (PubChem CID 18878248) has the molecular formula C21H16ClFN2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
PubChem CID18878248
Molecular FormulaC21H16ClFN2S
Molecular Weight382.89 g/mol
Exact Mass382.07
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C21H16ClFN2S/c22-16-9-11-17(12-10-16)26-14-21-24-19-7-3-4-8-20(19)25(21)13-15-5-1-2-6-18(15)23/h1-12H,13-14H2
InChIKeyNLTMNDAMHYUFRC-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18878257
2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 6618819
2-[(4-chlorophenyl)sulfanylmethyl]-1-nonylbenzimidazole
CID 18878229
2-[(4-chlorophenyl)sulfanylmethyl]-1-propan-2-ylbenzimidazole
CID 18878244
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
2-[(4-chlorophenyl)sulfanylmethyl]-1-(1-phenylethyl)benzimidazole
CID 18878245
2-[(4-chlorophenyl)sulfanylmethyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18878283
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole (CID 18878248) is 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole is Fc1ccccc1Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole?
The InChIKey is NLTMNDAMHYUFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2S/c22-16-9-11-17(12-10-16)26-14-21-24-19-7-3-4-8-20(19)25(21)13-15-5-1-2-6-18(15)23/h1-12H,13-14H2.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole?
2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole has a molecular weight of 382.89 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18878248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).