2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid

C26H25N3O3 — CID 90202748

IUPAC2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(C)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O3/c1-4-28-22-8-6-5-7-18(22)20-14-17(9-10-23(20)28)25-27-21-15-19(26(30)31)16(2)13-24(21)29(25)11-12-32-3/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyOHCPIAVGSMNZKZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.48
Rot. Bonds6

About 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid

2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid (PubChem CID 90202748) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid
PubChem CID90202748
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(C)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O3/c1-4-28-22-8-6-5-7-18(22)20-14-17(9-10-23(20)28)25-27-21-15-19(26(30)31)16(2)13-24(21)29(25)11-12-32-3/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyOHCPIAVGSMNZKZ-UHFFFAOYSA-N
XLogP5.48
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(9-ethylcarbazol-3-yl)-1-(3-methoxypropyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202740
N-(dimethylsulfamoyl)-2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxamide
CID 155542414
1-(cyclopropylmethyl)-2-(9-ethylcarbazol-3-yl)-6-methoxybenzimidazole-5-carboxylic acid
CID 90202380
[2-(9-ethylcarbazol-3-yl)-1-[(2R)-2-hydroxy-3-methoxypropyl]benzimidazol-5-yl] hydrogen carbonate
CID 90202351
[2-[9-(cyclobutylmethyl)carbazol-3-yl]-1-(2-methoxyethyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202307
[2-(9-ethylcarbazol-3-yl)-1-(2-methylsulfonylethyl)benzimidazol-5-yl] hydrogen carbonate
CID 90202773
4-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 136751423
2-methoxyethyl 2-(9-ethylcarbazol-3-yl)-3H-benzimidazole-5-carboxylate
CID 175469021
9-ethylcarbazole-3-carboxylic acid
CID 4912869
2-(9-ethylcarbazol-3-yl)-7-methyl-3-prop-2-enylbenzimidazole-5-carboxylic acid
CID 90202381
methyl 2-(9-ethyl-6-fluoro-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylate
CID 118165907
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid (CID 90202748) is 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(C)cc4n3CCOC)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid?
The InChIKey is OHCPIAVGSMNZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-28-22-8-6-5-7-18(22)20-14-17(9-10-23(20)28)25-27-21-15-19(26(30)31)16(2)13-24(21)29(25)11-12-32-3/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-6-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).