2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid

C27H27N3O3 — CID 129161002

IUPAC2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(C)c21
InChIInChI=1S/C27H27N3O3/c1-5-29-22-11-9-18(15-21(22)20-8-6-7-16(2)25(20)29)26-28-24-17(3)19(27(31)32)10-12-23(24)30(26)13-14-33-4/h6-12,15H,5,13-14H2,1-4H3,(H,31,32)
InChIKeyRCRVYFOWDPTKSK-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.79
Rot. Bonds6

About 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid

2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid (PubChem CID 129161002) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
PubChem CID129161002
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
SMILESCCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(C)c21
InChIInChI=1S/C27H27N3O3/c1-5-29-22-11-9-18(15-21(22)20-8-6-7-16(2)25(20)29)26-28-24-17(3)19(27(31)32)10-12-23(24)30(26)13-14-33-4/h6-12,15H,5,13-14H2,1-4H3,(H,31,32)
InChIKeyRCRVYFOWDPTKSK-UHFFFAOYSA-N
XLogP5.79
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-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-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid (CID 129161002) is 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid is CCn1c2ccc(-c3nc4c(C)c(C(=O)O)ccc4n3CCOC)cc2c2cccc(C)c21.
What is the InChIKey of 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
The InChIKey is RCRVYFOWDPTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-5-29-22-11-9-18(15-21(22)20-8-6-7-16(2)25(20)29)26-28-24-17(3)19(27(31)32)10-12-23(24)30(26)13-14-33-4/h6-12,15H,5,13-14H2,1-4H3,(H,31,32).
What are the key properties of 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid?
2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid has a molecular weight of 441.53 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethyl-8-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 129161002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).