[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol

C20H18F2N4O2S — CID 134315732

IUPAC[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol
SMILESCc1nc(-c2ccc(F)cc2F)sc1NC(O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H18F2N4O2S/c1-11-18(29-19(24-11)14-5-4-13(21)8-15(14)22)25-20(27)28-9-12-3-6-17-16(7-12)23-10-26(17)2/h3-8,10,20,25,27H,9H2,1-2H3
InChIKeyHYOWBSUECGPUGT-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.19
Rot. Bonds6

About [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol

[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol (PubChem CID 134315732) has the molecular formula C20H18F2N4O2S and a molecular weight of 416.45 g/mol. Its IUPAC name is [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol.

Molecular Properties

Compound Name[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol
PubChem CID134315732
Molecular FormulaC20H18F2N4O2S
Molecular Weight416.45 g/mol
Exact Mass416.11
IUPAC Name[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol
SMILESCc1nc(-c2ccc(F)cc2F)sc1NC(O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H18F2N4O2S/c1-11-18(29-19(24-11)14-5-4-13(21)8-15(14)22)25-20(27)28-9-12-3-6-17-16(7-12)23-10-26(17)2/h3-8,10,20,25,27H,9H2,1-2H3
InChIKeyHYOWBSUECGPUGT-UHFFFAOYSA-N
XLogP4.19
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol?
The IUPAC name of [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol (CID 134315732) is [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol.
What is the SMILES notation for [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol?
The canonical SMILES for [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol is Cc1nc(-c2ccc(F)cc2F)sc1NC(O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol?
The InChIKey is HYOWBSUECGPUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2S/c1-11-18(29-19(24-11)14-5-4-13(21)8-15(14)22)25-20(27)28-9-12-3-6-17-16(7-12)23-10-26(17)2/h3-8,10,20,25,27H,9H2,1-2H3.
What are the key properties of [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol?
[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol has a molecular weight of 416.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol is sourced from PubChem (CID 134315732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).