2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

C18H17FN4S — CID 6618819

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CSC2=NCCN2)nc2ccccc21
InChIInChI=1S/C18H17FN4S/c19-14-6-2-1-5-13(14)11-23-16-8-4-3-7-15(16)22-17(23)12-24-18-20-9-10-21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyGPCLJWCEYNBHGN-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.42
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole

2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (PubChem CID 6618819) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
PubChem CID6618819
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
SMILESFc1ccccc1Cn1c(CSC2=NCCN2)nc2ccccc21
InChIInChI=1S/C18H17FN4S/c19-14-6-2-1-5-13(14)11-23-16-8-4-3-7-15(16)22-17(23)12-24-18-20-9-10-21-18/h1-8H,9-12H2,(H,20,21)
InChIKeyGPCLJWCEYNBHGN-UHFFFAOYSA-N
XLogP3.42
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 18878248
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
1-[(2-fluorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 690627
1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
CID 886688
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
1-[(2-fluorophenyl)methyl]-2-[(2-prop-2-enylphenoxy)methyl]benzimidazole
CID 18878085
1-[(2-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262927
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165916
3-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 16615330
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755
1-[(2-chloro-6-fluorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878249
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole (CID 6618819) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is Fc1ccccc1Cn1c(CSC2=NCCN2)nc2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
The InChIKey is GPCLJWCEYNBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c19-14-6-2-1-5-13(14)11-23-16-8-4-3-7-15(16)22-17(23)12-24-18-20-9-10-21-18/h1-8H,9-12H2,(H,20,21).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole has a molecular weight of 340.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-1-[(2-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 6618819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).