1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide

C21H24N4O4 — CID 4783019

IUPAC1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3ccccc3OC)ccc21
InChIInChI=1S/C21H24N4O4/c1-4-25-14(2)22-16-13-15(9-10-17(16)25)21(27)24-23-20(26)11-12-29-19-8-6-5-7-18(19)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQWJIKVLTFWHLFK-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.60
Rot. Bonds7

About 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide

1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 4783019) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
PubChem CID4783019
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3ccccc3OC)ccc21
InChIInChI=1S/C21H24N4O4/c1-4-25-14(2)22-16-13-15(9-10-17(16)25)21(27)24-23-20(26)11-12-29-19-8-6-5-7-18(19)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQWJIKVLTFWHLFK-UHFFFAOYSA-N
XLogP2.60
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.60
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'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27166329
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016965

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide (CID 4783019) is 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)CCOc3ccccc3OC)ccc21.
What is the InChIKey of 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is QWJIKVLTFWHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-25-14(2)22-16-13-15(9-10-17(16)25)21(27)24-23-20(26)11-12-29-19-8-6-5-7-18(19)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide?
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 396.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 4783019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).