2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid

C26H25N3O3 — CID 90202404

IUPAC2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O3/c1-4-28-21-8-6-5-7-19(21)20-15-17(9-11-22(20)28)25-27-24-16(2)18(26(30)31)10-12-23(24)29(25)13-14-32-3/h5-12,15H,4,13-14H2,1-3H3,(H,30,31)
InChIKeyUYIJGNNZVACBMR-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.48
Rot. Bonds6

About 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid

2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid (PubChem CID 90202404) 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)-4-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
PubChem CID90202404
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O3/c1-4-28-21-8-6-5-7-19(21)20-15-17(9-11-22(20)28)25-27-24-16(2)18(26(30)31)10-12-23(24)29(25)13-14-32-3/h5-12,15H,4,13-14H2,1-3H3,(H,30,31)
InChIKeyUYIJGNNZVACBMR-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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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid (CID 90202404) is 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The InChIKey is UYIJGNNZVACBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-28-21-8-6-5-7-19(21)20-15-17(9-11-22(20)28)25-27-24-16(2)18(26(30)31)10-12-23(24)29(25)13-14-32-3/h5-12,15H,4,13-14H2,1-3H3,(H,30,31).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)-4-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)-4-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).