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

C26H25N3O4 — CID 90202486

IUPAC2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyGIVBBEZUIKZZLH-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.18
Rot. Bonds7

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

2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (PubChem CID 90202486) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
PubChem CID90202486
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21
InChIInChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31)
InChIKeyGIVBBEZUIKZZLH-UHFFFAOYSA-N
XLogP5.18
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid (CID 90202486) is 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)c(OC)cc4n3CCOC)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
The InChIKey is GIVBBEZUIKZZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-28-21-8-6-5-7-17(21)18-13-16(9-10-22(18)28)25-27-20-14-19(26(30)31)24(33-3)15-23(20)29(25)11-12-32-2/h5-10,13-15H,4,11-12H2,1-3H3,(H,30,31).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid has a molecular weight of 443.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-6-methoxy-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).