2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide

C14H9Cl2N7O3 — CID 22536464

IUPAC2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(-n2ccnc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N7O3/c15-8-1-2-9(10(16)5-8)14(24)21-20-12-11(23(25)26)13(19-6-18-12)22-4-3-17-7-22/h1-7H,(H,21,24)(H,18,19,20)
InChIKeyVODBRNNATCLTDI-UHFFFAOYSA-N
MW394.18 g/mol
LogP2.63
Rot. Bonds5

About 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide

2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide (PubChem CID 22536464) has the molecular formula C14H9Cl2N7O3 and a molecular weight of 394.18 g/mol. Its IUPAC name is 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
PubChem CID22536464
Molecular FormulaC14H9Cl2N7O3
Molecular Weight394.18 g/mol
Exact Mass393.01
IUPAC Name2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide
SMILESO=C(NNc1ncnc(-n2ccnc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N7O3/c15-8-1-2-9(10(16)5-8)14(24)21-20-12-11(23(25)26)13(19-6-18-12)22-4-3-17-7-22/h1-7H,(H,21,24)(H,18,19,20)
InChIKeyVODBRNNATCLTDI-UHFFFAOYSA-N
XLogP2.63
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N'-(6-hydrazinyl-5-nitropyrimidin-4-yl)benzohydrazide
CID 22534722
N'-[6-(tert-butylamino)-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 23478781
N-(5-chloro-2-pyridinyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22531273
2,4-dichloro-N'-[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536417
2,4-dichloro-N'-[6-(cyclopentylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22536438
2,4-dichloro-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22526397
2,4-dichloro-N'-[6-(3-methylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22532415
N'-[6-[(5-bromo-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22531329
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 23479805
2,4-dichloro-N'-[5-nitro-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzohydrazide
CID 22536432
N'-[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 23478056
N-(2,5-difluorophenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine
CID 22538661

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide (CID 22536464) is 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide is O=C(NNc1ncnc(-n2ccnc2)c1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide?
The InChIKey is VODBRNNATCLTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N7O3/c15-8-1-2-9(10(16)5-8)14(24)21-20-12-11(23(25)26)13(19-6-18-12)22-4-3-17-7-22/h1-7H,(H,21,24)(H,18,19,20).
What are the key properties of 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide?
2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide has a molecular weight of 394.18 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 22536464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).