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

C25H23N3O3 — CID 74762651

IUPAC2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21
InChIInChI=1S/C25H23N3O3/c1-3-27-21-7-5-4-6-18(21)19-14-16(8-10-22(19)27)24-26-20-15-17(25(29)30)9-11-23(20)28(24)12-13-31-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,29,30)
InChIKeyXEQKPBUOQQCDKC-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.18
Rot. Bonds6

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

2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 74762651) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
PubChem CID74762651
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21
InChIInChI=1S/C25H23N3O3/c1-3-27-21-7-5-4-6-18(21)19-14-16(8-10-22(19)27)24-26-20-15-17(25(29)30)9-11-23(20)28(24)12-13-31-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,29,30)
InChIKeyXEQKPBUOQQCDKC-UHFFFAOYSA-N
XLogP5.18
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 74762651) is 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CCOC)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is XEQKPBUOQQCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-27-21-7-5-4-6-18(21)19-14-16(8-10-22(19)27)24-26-20-15-17(25(29)30)9-11-23(20)28(24)12-13-31-2/h4-11,14-15H,3,12-13H2,1-2H3,(H,29,30).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 413.48 g/mol, XLogP of 5.18, 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)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 74762651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).