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

C28H21N3O2 — CID 155568276

IUPAC2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3-c3ccccc3)ccc21
InChIInChI=1S/C28H21N3O2/c1-2-30-24-11-7-6-10-21(24)22-16-18(12-14-25(22)30)27-29-23-17-19(28(32)33)13-15-26(23)31(27)20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H,32,33)
InChIKeyFIVJHWOOBMKEMP-UHFFFAOYSA-N
MW431.50 g/mol
LogP6.52
Rot. Bonds4

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

2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid (PubChem CID 155568276) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid
PubChem CID155568276
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3-c3ccccc3)ccc21
InChIInChI=1S/C28H21N3O2/c1-2-30-24-11-7-6-10-21(24)22-16-18(12-14-25(22)30)27-29-23-17-19(28(32)33)13-15-26(23)31(27)20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H,32,33)
InChIKeyFIVJHWOOBMKEMP-UHFFFAOYSA-N
XLogP6.52
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid (CID 155568276) is 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid is CCn1c2ccccc2c2cc(-c3nc4cc(C(=O)O)ccc4n3-c3ccccc3)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid?
The InChIKey is FIVJHWOOBMKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-2-30-24-11-7-6-10-21(24)22-16-18(12-14-25(22)30)27-29-23-17-19(28(32)33)13-15-26(23)31(27)20-8-4-3-5-9-20/h3-17H,2H2,1H3,(H,32,33).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid?
2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid has a molecular weight of 431.50 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-1-phenylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 155568276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).