1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

C23H28N4O3 — CID 4103678

IUPAC1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C23H28N4O3/c1-3-30-20-7-5-19(6-8-20)27-17(2)25-21-16-18(4-9-22(21)27)23(28)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,28)
InChIKeyRHUQIKXMOFCGGY-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.79
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (PubChem CID 4103678) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
PubChem CID4103678
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1
InChIInChI=1S/C23H28N4O3/c1-3-30-20-7-5-19(6-8-20)27-17(2)25-21-16-18(4-9-22(21)27)23(28)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,28)
InChIKeyRHUQIKXMOFCGGY-UHFFFAOYSA-N
XLogP2.79
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
1-[4-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 67011702
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325380
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (CID 4103678) is 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is CCOc1ccc(-n2c(C)nc3cc(C(=O)NCCN4CCOCC4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is RHUQIKXMOFCGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-30-20-7-5-19(6-8-20)27-17(2)25-21-16-18(4-9-22(21)27)23(28)24-10-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4103678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).