5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide

C17H15BrN4O3S — CID 55789132

IUPAC5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
SMILESCn1ccnc1COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-22-9-8-19-15(22)10-25-12-4-2-11(3-5-12)16(23)20-21-17(24)13-6-7-14(18)26-13/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGICJJFDOJVOXAQ-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.90
Rot. Bonds5

About 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide

5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide (PubChem CID 55789132) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
PubChem CID55789132
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC Name5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
SMILESCn1ccnc1COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-22-9-8-19-15(22)10-25-12-4-2-11(3-5-12)16(23)20-21-17(24)13-6-7-14(18)26-13/h2-9H,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyGICJJFDOJVOXAQ-UHFFFAOYSA-N
XLogP2.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 63236222
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
N'-[2-(4-methylanilino)acetyl]-4-[(1-methylimidazol-2-yl)methoxy]benzohydrazide
CID 56503242
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 51952153
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide (CID 55789132) is 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide is Cn1ccnc1COc1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide?
The InChIKey is GICJJFDOJVOXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c1-22-9-8-19-15(22)10-25-12-4-2-11(3-5-12)16(23)20-21-17(24)13-6-7-14(18)26-13/h2-9H,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide?
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide has a molecular weight of 435.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55789132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).