1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid

C23H26FN3O2 — CID 167828749

IUPAC1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(CN2CCCCC2Cc2ccccc2F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C23H26FN3O2/c1-2-27-21-11-10-17(23(28)29)14-20(21)25-22(27)15-26-12-6-5-8-18(26)13-16-7-3-4-9-19(16)24/h3-4,7,9-11,14,18H,2,5-6,8,12-13,15H2,1H3,(H,28,29)
InChIKeyCVTCIPOOPAWGHF-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.49
Rot. Bonds6

About 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid

1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid (PubChem CID 167828749) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
PubChem CID167828749
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
SMILESCCn1c(CN2CCCCC2Cc2ccccc2F)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C23H26FN3O2/c1-2-27-21-11-10-17(23(28)29)14-20(21)25-22(27)15-26-12-6-5-8-18(26)13-16-7-3-4-9-19(16)24/h3-4,7,9-11,14,18H,2,5-6,8,12-13,15H2,1H3,(H,28,29)
InChIKeyCVTCIPOOPAWGHF-UHFFFAOYSA-N
XLogP4.49
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-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

Related Compounds

2-[(2-benzylpiperidin-1-yl)methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 154796933
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
1-ethyl-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 138045779
1-ethyl-2-[[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 138045802
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594
1-ethyl-2-[[5-methyl-2-(2-methylphenyl)morpholin-4-yl]methyl]benzimidazole-5-carboxylic acid
CID 167834835
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
2-[(2R)-1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 96516180
2-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 154798112
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866
1-ethyl-2-[[3-(4-ethylphenyl)pyrrolidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 167791302
2-ethyl-1-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 43140417

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid (CID 167828749) is 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid is CCn1c(CN2CCCCC2Cc2ccccc2F)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid?
The InChIKey is CVTCIPOOPAWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-27-21-11-10-17(23(28)29)14-20(21)25-22(27)15-26-12-6-5-8-18(26)13-16-7-3-4-9-19(16)24/h3-4,7,9-11,14,18H,2,5-6,8,12-13,15H2,1H3,(H,28,29).
What are the key properties of 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid?
1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid has a molecular weight of 395.48 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 167828749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).