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

C26H23N3O3 — CID 90202594

IUPAC2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCO3)ccc21
InChIInChI=1S/C26H23N3O3/c1-2-28-22-6-4-3-5-19(22)20-13-16(7-9-23(20)28)25-27-21-14-17(26(30)31)8-10-24(21)29(25)15-18-11-12-32-18/h3-10,13-14,18H,2,11-12,15H2,1H3,(H,30,31)
InChIKeyQIEOWOHGBXQKMF-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.32
Rot. Bonds5

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

2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 90202594) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID90202594
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCO3)ccc21
InChIInChI=1S/C26H23N3O3/c1-2-28-22-6-4-3-5-19(22)20-13-16(7-9-23(20)28)25-27-21-14-17(26(30)31)8-10-24(21)29(25)15-18-11-12-32-18/h3-10,13-14,18H,2,11-12,15H2,1H3,(H,30,31)
InChIKeyQIEOWOHGBXQKMF-UHFFFAOYSA-N
XLogP5.32
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.32
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-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 90202594) is 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3CC3CCO3)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is QIEOWOHGBXQKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-2-28-22-6-4-3-5-19(22)20-13-16(7-9-23(20)28)25-27-21-14-17(26(30)31)8-10-24(21)29(25)15-18-11-12-32-18/h3-10,13-14,18H,2,11-12,15H2,1H3,(H,30,31).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-1-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 425.49 g/mol, XLogP of 5.32, 5 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-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 90202594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).