1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole

C16H12F2N4S — CID 51280131

IUPAC1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
SMILESFC(F)n1c(SCc2cn3ccccc3n2)nc2ccccc21
InChIInChI=1S/C16H12F2N4S/c17-15(18)22-13-6-2-1-5-12(13)20-16(22)23-10-11-9-21-8-4-3-7-14(21)19-11/h1-9,15H,10H2
InChIKeyFLRFRJRHJIVYQT-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.37
Rot. Bonds4

About 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole

1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole (PubChem CID 51280131) has the molecular formula C16H12F2N4S and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
PubChem CID51280131
Molecular FormulaC16H12F2N4S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC Name1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
SMILESFC(F)n1c(SCc2cn3ccccc3n2)nc2ccccc21
InChIInChI=1S/C16H12F2N4S/c17-15(18)22-13-6-2-1-5-12(13)20-16(22)23-10-11-9-21-8-4-3-7-14(21)19-11/h1-9,15H,10H2
InChIKeyFLRFRJRHJIVYQT-UHFFFAOYSA-N
XLogP4.37
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
3-(4-fluorophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 112779520
3-[(4-fluorophenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7225921
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
3-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7029190
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978
4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 112786106
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
4-fluoro-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoic acid
CID 80554638
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole (CID 51280131) is 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole is FC(F)n1c(SCc2cn3ccccc3n2)nc2ccccc21.
What is the InChIKey of 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole?
The InChIKey is FLRFRJRHJIVYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4S/c17-15(18)22-13-6-2-1-5-12(13)20-16(22)23-10-11-9-21-8-4-3-7-14(21)19-11/h1-9,15H,10H2.
What are the key properties of 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole?
1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole has a molecular weight of 330.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole is sourced from PubChem (CID 51280131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).