N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide

C24H23N3O3 — CID 134809089

IUPACN-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2Oc2ccccc2)cc2ncn(C)c12
InChIInChI=1S/C24H23N3O3/c1-27-16-26-21-15-17(14-20(23(21)27)24(28)25-12-13-29-2)19-10-6-7-11-22(19)30-18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)
InChIKeyHMAZLKMWASXZBG-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.41
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide

N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide (PubChem CID 134809089) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide
PubChem CID134809089
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2Oc2ccccc2)cc2ncn(C)c12
InChIInChI=1S/C24H23N3O3/c1-27-16-26-21-15-17(14-20(23(21)27)24(28)25-12-13-29-2)19-10-6-7-11-22(19)30-18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3,(H,25,28)
InChIKeyHMAZLKMWASXZBG-UHFFFAOYSA-N
XLogP4.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1H-indol-4-yl)-N-(2-methoxyethyl)-3-methylbenzimidazole-4-carboxamide
CID 134811031
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
2-chloro-N-[2-(2-phenylphenoxy)ethyl]benzamide
CID 2994239
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
CID 140623641
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
CID 59811920

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide (CID 134809089) is N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide is COCCNC(=O)c1cc(-c2ccccc2Oc2ccccc2)cc2ncn(C)c12.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide?
The InChIKey is HMAZLKMWASXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-27-16-26-21-15-17(14-20(23(21)27)24(28)25-12-13-29-2)19-10-6-7-11-22(19)30-18-8-4-3-5-9-18/h3-11,14-16H,12-13H2,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide?
N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-6-(2-phenoxyphenyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134809089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).