N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide

C16H10F3N5O2 — CID 139012317

IUPACN'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
SMILESN#Cc1ccc(NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(7-20)1-3-11(10)23-24-14(25)9-2-4-12-13(6-9)22-15(26)21-12/h1-6,23H,(H,24,25)(H2,21,22,26)
InChIKeyXFVWMHUXZIBSMI-UHFFFAOYSA-N
MW361.28 g/mol
LogP2.50
Rot. Bonds3

About N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide

N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide (PubChem CID 139012317) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
PubChem CID139012317
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC NameN'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide
SMILESN#Cc1ccc(NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(7-20)1-3-11(10)23-24-14(25)9-2-4-12-13(6-9)22-15(26)21-12/h1-6,23H,(H,24,25)(H2,21,22,26)
InChIKeyXFVWMHUXZIBSMI-UHFFFAOYSA-N
XLogP2.50
TPSA113.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-fluoro-3-methylbenzohydrazide
CID 139012294
N'-[4-cyano-2-(trifluoromethyl)phenyl]-3,4,5-trifluorobenzohydrazide
CID 139012323
N'-[4-cyano-2-(trifluoromethyl)phenyl]-4-methoxybenzohydrazide
CID 139012336
2-bromo-5-chloro-N'-[4-cyano-2-(trifluoromethyl)phenyl]-3-fluorobenzohydrazide
CID 167748702
4-cyano-N'-[4-cyano-3-fluoro-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzohydrazide
CID 169155589
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55699331
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
4-[(3-hydroxyphenyl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 43687061

Frequently Asked Questions

What is the IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide?
The IUPAC name of N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide (CID 139012317) is N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide is N#Cc1ccc(NNC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide?
The InChIKey is XFVWMHUXZIBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-16(18,19)10-5-8(7-20)1-3-11(10)23-24-14(25)9-2-4-12-13(6-9)22-15(26)21-12/h1-6,23H,(H,24,25)(H2,21,22,26).
What are the key properties of N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide?
N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide has a molecular weight of 361.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-cyano-2-(trifluoromethyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbohydrazide is sourced from PubChem (CID 139012317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).