N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

C22H27N3O3 — CID 3655846

IUPACN-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCOC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(C)c1)OCC
InChIInChI=1S/C22H27N3O3/c1-5-27-21(28-6-2)14-23-22(26)17-10-11-20-19(13-17)24-16(4)25(20)18-9-7-8-15(3)12-18/h7-13,21H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyMQSIOEPPIRIFRZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.77
Rot. Bonds8

About N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 3655846) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID3655846
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCCOC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(C)c1)OCC
InChIInChI=1S/C22H27N3O3/c1-5-27-21(28-6-2)14-23-22(26)17-10-11-20-19(13-17)24-16(4)25(20)18-9-7-8-15(3)12-18/h7-13,21H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyMQSIOEPPIRIFRZ-UHFFFAOYSA-N
XLogP3.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
2-methyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)benzimidazole-5-carboxamide
CID 4535707
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)-2-methylbenzimidazole-5-carboxamide
CID 4564435
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
ethyl 3-hydroxy-2-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]propanoate
CID 136519748
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 3655846) is N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is CCOC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(C)c1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is MQSIOEPPIRIFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-5-27-21(28-6-2)14-23-22(26)17-10-11-20-19(13-17)24-16(4)25(20)18-9-7-8-15(3)12-18/h7-13,21H,5-6,14H2,1-4H3,(H,23,26).
What are the key properties of N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3655846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).