3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide

C19H16F3N5O3 — CID 134459646

IUPAC3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESCOCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(C(F)(F)F)c(C#N)cc21
InChIInChI=1S/C19H16F3N5O3/c1-30-6-5-27-16-8-12(10-23)14(19(20,21)22)9-15(16)25-18(27)24-13-4-2-3-11(7-13)17(28)26-29/h2-4,7-9,29H,5-6H2,1H3,(H,24,25)(H,26,28)
InChIKeyONCXDYXOPAYDRJ-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.44
Rot. Bonds6

About 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide

3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide (PubChem CID 134459646) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
PubChem CID134459646
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
SMILESCOCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(C(F)(F)F)c(C#N)cc21
InChIInChI=1S/C19H16F3N5O3/c1-30-6-5-27-16-8-12(10-23)14(19(20,21)22)9-15(16)25-18(27)24-13-4-2-3-11(7-13)17(28)26-29/h2-4,7-9,29H,5-6H2,1H3,(H,24,25)(H,26,28)
InChIKeyONCXDYXOPAYDRJ-UHFFFAOYSA-N
XLogP3.44
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[hydroxy(methoxy)methyl]anilino]-3-(2-methoxyethyl)-6-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 134459888
N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
3-[[6-cyano-1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzoic acid
CID 134492557
3-[[1-(5-aminopentyl)-5-cyano-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide;3-[(5-chloro-6-fluoro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[(5,6-dichloro-1-hexylbenzimidazol-2-yl)amino]-N-hydroxybenzamide;3-[[1-(2-methoxyethyl)-5-phenyl-6-(trifluoromethyl)benzimidazol-2-yl]amino]-N-methylbenzamide
CID 161466464
methyl 3-[[6-isocyano-1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]amino]benzoate
CID 160774513
tert-butyl N-[5-[5-cyano-2-[3-[hydroxy(methoxy)methyl]anilino]-6-(trifluoromethyl)benzimidazol-1-yl]pentyl]carbamate
CID 134459835
tert-butyl N-[5-[5-cyano-2-[3-[hydroxy-(hydroxyamino)methyl]anilino]-6-(trifluoromethyl)benzimidazol-1-yl]pentyl]carbamate
CID 134459841
2-bromo-1-(2-methoxyethyl)benzimidazole;N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide;methyl 3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzoate
CID 157127485
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
2-(2,6-difluoroanilino)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 67229775
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093

Frequently Asked Questions

What is the IUPAC name of 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide (CID 134459646) is 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide is COCCn1c(Nc2cccc(C(=O)NO)c2)nc2cc(C(F)(F)F)c(C#N)cc21.
What is the InChIKey of 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
The InChIKey is ONCXDYXOPAYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-30-6-5-27-16-8-12(10-23)14(19(20,21)22)9-15(16)25-18(27)24-13-4-2-3-11(7-13)17(28)26-29/h2-4,7-9,29H,5-6H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide?
3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide has a molecular weight of 419.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 134459646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).