1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide

C21H22N4O3 — CID 25349265

IUPAC1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1
InChIInChI=1S/C21H22N4O3/c1-4-12-28-17-9-6-15(7-10-17)20(26)23-24-21(27)16-8-11-19-18(13-16)22-14(3)25(19)5-2/h4,6-11,13H,1,5,12H2,2-3H3,(H,23,26)(H,24,27)
InChIKeyUTYCCGHJSOSVSK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.00
Rot. Bonds6

About 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide

1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide (PubChem CID 25349265) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
PubChem CID25349265
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1
InChIInChI=1S/C21H22N4O3/c1-4-12-28-17-9-6-15(7-10-17)20(26)23-24-21(27)16-8-11-19-18(13-16)22-14(3)25(19)5-2/h4,6-11,13H,1,5,12H2,2-3H3,(H,23,26)(H,24,27)
InChIKeyUTYCCGHJSOSVSK-UHFFFAOYSA-N
XLogP3.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24621720
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
CID 26682519
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N-[(4-butoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 3485700
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
1-ethyl-2-methyl-N'-[4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoyl]benzimidazole-5-carbohydrazide
CID 2443889
1-ethyl-2-methyl-N'-(1-thiophen-2-ylethenyl)benzimidazole-5-carbohydrazide
CID 2397383
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide (CID 25349265) is 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1.
What is the InChIKey of 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide?
The InChIKey is UTYCCGHJSOSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-12-28-17-9-6-15(7-10-17)20(26)23-24-21(27)16-8-11-19-18(13-16)22-14(3)25(19)5-2/h4,6-11,13H,1,5,12H2,2-3H3,(H,23,26)(H,24,27).
What are the key properties of 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide has a molecular weight of 378.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide is sourced from PubChem (CID 25349265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).