N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

C22H26N4O4 — CID 26536321

IUPACN'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1OCC
InChIInChI=1S/C22H26N4O4/c1-5-26-14(4)23-17-12-15(8-10-18(17)26)21(27)24-25-22(28)16-9-11-19(29-6-2)20(13-16)30-7-3/h8-13H,5-7H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyXSOCZACCTQNVBF-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.24
Rot. Bonds7

About N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 26536321) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
PubChem CID26536321
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1OCC
InChIInChI=1S/C22H26N4O4/c1-5-26-14(4)23-17-12-15(8-10-18(17)26)21(27)24-25-22(28)16-9-11-19(29-6-2)20(13-16)30-7-3/h8-13H,5-7H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyXSOCZACCTQNVBF-UHFFFAOYSA-N
XLogP3.24
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.24
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

1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016965
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 9016786
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
CID 2328625
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide (CID 26536321) is N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1OCC.
What is the InChIKey of N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is XSOCZACCTQNVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-26-14(4)23-17-12-15(8-10-18(17)26)21(27)24-25-22(28)16-9-11-19(29-6-2)20(13-16)30-7-3/h8-13H,5-7H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide?
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 410.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 26536321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).