4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide

C25H19F2N5OS — CID 90467411

IUPAC4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3cccc(C(F)F)c3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C25H19F2N5OS/c1-13-9-19-20(30-24(29-19)17-4-2-3-16(10-17)22(26)27)11-18(13)31-25-32-21(12-34-25)14-5-7-15(8-6-14)23(28)33/h2-12,22H,1H3,(H2,28,33)(H,29,30)(H,31,32)
InChIKeyQFHIEWPYLPEWEX-UHFFFAOYSA-N
MW475.52 g/mol
LogP6.44
Rot. Bonds6

About 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide

4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide (PubChem CID 90467411) has the molecular formula C25H19F2N5OS and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
PubChem CID90467411
Molecular FormulaC25H19F2N5OS
Molecular Weight475.52 g/mol
Exact Mass475.13
IUPAC Name4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide
SMILESCc1cc2[nH]c(-c3cccc(C(F)F)c3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1
InChIInChI=1S/C25H19F2N5OS/c1-13-9-19-20(30-24(29-19)17-4-2-3-16(10-17)22(26)27)11-18(13)31-25-32-21(12-34-25)14-5-7-15(8-6-14)23(28)33/h2-12,22H,1H3,(H2,28,33)(H,29,30)(H,31,32)
InChIKeyQFHIEWPYLPEWEX-UHFFFAOYSA-N
XLogP6.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide (CID 90467411) is 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide is Cc1cc2[nH]c(-c3cccc(C(F)F)c3)nc2cc1Nc1nc(-c2ccc(C(N)=O)cc2)cs1.
What is the InChIKey of 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is QFHIEWPYLPEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5OS/c1-13-9-19-20(30-24(29-19)17-4-2-3-16(10-17)22(26)27)11-18(13)31-25-32-21(12-34-25)14-5-7-15(8-6-14)23(28)33/h2-12,22H,1H3,(H2,28,33)(H,29,30)(H,31,32).
What are the key properties of 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide?
4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 475.52 g/mol, XLogP of 6.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-[3-(difluoromethyl)phenyl]-6-methyl-1H-benzimidazol-5-yl]amino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 90467411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).