6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide

C9H7F3N4O — CID 172562577

IUPAC6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
SMILESNNC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)4-1-2-5-6(3-4)15-7(14-5)8(17)16-13/h1-3H,13H2,(H,14,15)(H,16,17)
InChIKeyWXRPCGPIZGNVLT-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.19
Rot. Bonds1

About 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide

6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide (PubChem CID 172562577) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide.

Molecular Properties

Compound Name6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
PubChem CID172562577
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
SMILESNNC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)4-1-2-5-6(3-4)15-7(14-5)8(17)16-13/h1-3H,13H2,(H,14,15)(H,16,17)
InChIKeyWXRPCGPIZGNVLT-UHFFFAOYSA-N
XLogP1.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
3-hydroxy-3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butanamide
CID 139518431
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
methanol;6-(trifluoromethyl)-1H-benzimidazole-2-sulfonic acid
CID 144728382
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl N-tert-butyl-N-methylcarbamate
CID 140657671
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
CID 604588
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide?
The IUPAC name of 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide (CID 172562577) is 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide.
What is the SMILES notation for 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide?
The canonical SMILES for 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide is NNC(=O)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide?
The InChIKey is WXRPCGPIZGNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)4-1-2-5-6(3-4)15-7(14-5)8(17)16-13/h1-3H,13H2,(H,14,15)(H,16,17).
What are the key properties of 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide?
6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide has a molecular weight of 244.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide is sourced from PubChem (CID 172562577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).