1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide

C19H19IN4O2 — CID 39707198

IUPAC1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(C)c3I)ccc21
InChIInChI=1S/C19H19IN4O2/c1-4-24-12(3)21-15-10-13(8-9-16(15)24)18(25)22-23-19(26)14-7-5-6-11(2)17(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWMBCJHUYBQEORE-UHFFFAOYSA-N
MW462.29 g/mol
LogP3.35
Rot. Bonds3

About 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide

1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 39707198) has the molecular formula C19H19IN4O2 and a molecular weight of 462.29 g/mol. Its IUPAC name is 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
PubChem CID39707198
Molecular FormulaC19H19IN4O2
Molecular Weight462.29 g/mol
Exact Mass462.06
IUPAC Name1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(C)c3I)ccc21
InChIInChI=1S/C19H19IN4O2/c1-4-24-12(3)21-15-10-13(8-9-16(15)24)18(25)22-23-19(26)14-7-5-6-11(2)17(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyWMBCJHUYBQEORE-UHFFFAOYSA-N
XLogP3.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.29
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
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
1-ethyl-2-methyl-N'-(1-thiophen-2-ylethenyl)benzimidazole-5-carbohydrazide
CID 2397383
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2465145
N'-(2,4-dimethylphenyl)sulfonyl-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 2415278
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide (CID 39707198) is 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(C)c3I)ccc21.
What is the InChIKey of 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is WMBCJHUYBQEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4O2/c1-4-24-12(3)21-15-10-13(8-9-16(15)24)18(25)22-23-19(26)14-7-5-6-11(2)17(14)20/h5-10H,4H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide?
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 462.29 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 39707198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).