N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide

C21H23N5O3 — CID 56503242

IUPACN'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-3-7-17(8-4-15)23-13-20(27)24-25-21(28)16-5-9-18(10-6-16)29-14-19-22-11-12-26(19)2/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXWTLLMIZLSZZPB-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.18
Rot. Bonds7

About N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide

N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide (PubChem CID 56503242) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
PubChem CID56503242
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C21H23N5O3/c1-15-3-7-17(8-4-15)23-13-20(27)24-25-21(28)16-5-9-18(10-6-16)29-14-19-22-11-12-26(19)2/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXWTLLMIZLSZZPB-UHFFFAOYSA-N
XLogP2.18
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 51952153
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
2,6-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]quinoline-3-carboxamide
CID 55880971
2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 75462718
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide?
The IUPAC name of N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide (CID 56503242) is N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide.
What is the SMILES notation for N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide?
The canonical SMILES for N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccc(OCc3nccn3C)cc2)cc1.
What is the InChIKey of N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide?
The InChIKey is XWTLLMIZLSZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-3-7-17(8-4-15)23-13-20(27)24-25-21(28)16-5-9-18(10-6-16)29-14-19-22-11-12-26(19)2/h3-12,23H,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide?
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide has a molecular weight of 393.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide is sourced from PubChem (CID 56503242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).