N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide

C18H15ClN4O3 — CID 31957371

IUPACN'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O3/c1-26-16-9-12(19)7-8-14(16)17(24)21-22-18(25)15-10-20-11-23(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyCJCKFBQETARBKV-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.61
Rot. Bonds4

About N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide

N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide (PubChem CID 31957371) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
PubChem CID31957371
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC NameN'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15ClN4O3/c1-26-16-9-12(19)7-8-14(16)17(24)21-22-18(25)15-10-20-11-23(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,25)
InChIKeyCJCKFBQETARBKV-UHFFFAOYSA-N
XLogP2.61
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-4-chloro-2-methoxybenzohydrazide
CID 34594179
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
N'-(4-ethylbenzoyl)-3-phenylimidazole-4-carbohydrazide
CID 30507763
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
3,6-dichloro-N'-(4-chloro-2-methoxybenzoyl)pyridine-2-carbohydrazide
CID 35855860
4-chloro-2-methoxy-N'-[3-(pyridin-3-ylmethoxy)benzoyl]benzohydrazide
CID 55792325
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
CID 30760557
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-heptan-4-ylimidazole-4-carboxamide
CID 46102860
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(2-benzylsulfanylpropanoyl)-4-chloro-2-methoxybenzohydrazide
CID 55792231

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide?
The IUPAC name of N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide (CID 31957371) is N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide is COc1cc(Cl)ccc1C(=O)NNC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide?
The InChIKey is CJCKFBQETARBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-26-16-9-12(19)7-8-14(16)17(24)21-22-18(25)15-10-20-11-23(15)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide?
N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide has a molecular weight of 370.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxybenzoyl)-3-phenylimidazole-4-carbohydrazide is sourced from PubChem (CID 31957371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).