N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

C21H24N4O4 — CID 46429428

IUPACN'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)n2cnc3ccccc32)ccc1OC(C)C
InChIInChI=1S/C21H24N4O4/c1-13(2)29-18-10-9-15(11-19(18)28-4)21(27)24-23-20(26)14(3)25-12-22-16-7-5-6-8-17(16)25/h5-14H,1-4H3,(H,23,26)(H,24,27)
InChIKeyJIXKVZVURBPMFX-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.85
Rot. Bonds6

About N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 46429428) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID46429428
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(C)n2cnc3ccccc32)ccc1OC(C)C
InChIInChI=1S/C21H24N4O4/c1-13(2)29-18-10-9-15(11-19(18)28-4)21(27)24-23-20(26)14(3)25-12-22-16-7-5-6-8-17(16)25/h5-14H,1-4H3,(H,23,26)(H,24,27)
InChIKeyJIXKVZVURBPMFX-UHFFFAOYSA-N
XLogP2.85
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.85
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

N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
CID 154805885
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2-(benzimidazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46604605
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
CID 46604692
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 43070412
3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 43070364
3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-benzylbenzenesulfonamide
CID 46429587
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 46429428) is N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)C(C)n2cnc3ccccc32)ccc1OC(C)C.
What is the InChIKey of N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is JIXKVZVURBPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(2)29-18-10-9-15(11-19(18)28-4)21(27)24-23-20(26)14(3)25-12-22-16-7-5-6-8-17(16)25/h5-14H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 396.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 46429428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).