2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid

C20H16F2N4O2 — CID 22380327

IUPAC2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C20H16F2N4O2/c1-2-26-17-6-3-12(20(27)28)9-16(17)24-18(26)11-25-8-7-23-19(25)14-10-13(21)4-5-15(14)22/h3-10H,2,11H2,1H3,(H,27,28)
InChIKeyCLOLEXWZZWRNNM-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.94
Rot. Bonds5

About 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid

2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid (PubChem CID 22380327) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
PubChem CID22380327
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
SMILESCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C20H16F2N4O2/c1-2-26-17-6-3-12(20(27)28)9-16(17)24-18(26)11-25-8-7-23-19(25)14-10-13(21)4-5-15(14)22/h3-10H,2,11H2,1H3,(H,27,28)
InChIKeyCLOLEXWZZWRNNM-UHFFFAOYSA-N
XLogP3.94
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-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-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid (CID 22380327) is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid is CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is CLOLEXWZZWRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-2-26-17-6-3-12(20(27)28)9-16(17)24-18(26)11-25-8-7-23-19(25)14-10-13(21)4-5-15(14)22/h3-10H,2,11H2,1H3,(H,27,28).
What are the key properties of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid?
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 382.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 22380327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).