4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol

C28H31FN4O — CID 23345188

IUPAC4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol
SMILESCc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C28H31FN4O/c1-20-18-21(8-11-27(20)34)12-15-32-16-13-24(14-17-32)30-28-31-25-4-2-3-5-26(25)33(28)19-22-6-9-23(29)10-7-22/h2-11,18,24,34H,12-17,19H2,1H3,(H,30,31)
InChIKeyFGHCPLVGQLEUSC-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.36
Rot. Bonds7

About 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol

4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol (PubChem CID 23345188) has the molecular formula C28H31FN4O and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol.

Molecular Properties

Compound Name4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol
PubChem CID23345188
Molecular FormulaC28H31FN4O
Molecular Weight458.58 g/mol
Exact Mass458.25
IUPAC Name4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol
SMILESCc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O
InChIInChI=1S/C28H31FN4O/c1-20-18-21(8-11-27(20)34)12-15-32-16-13-24(14-17-32)30-28-31-25-4-2-3-5-26(25)33(28)19-22-6-9-23(29)10-7-22/h2-11,18,24,34H,12-17,19H2,1H3,(H,30,31)
InChIKeyFGHCPLVGQLEUSC-UHFFFAOYSA-N
XLogP5.36
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol 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

Astemizole
CID 2247
Desmethylastemizole
CID 155805
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
2-{5-[amino(iminiumyl)methyl]-6-fluoro-1H-1,3-benzodiazol-2-yl}-6-phenylbenzen-1-olate
CID 135559082
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
3-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10357932
1-Benzyl-2-piperazin-1-ylbenzimidazol-5-ol
CID 10804748
2-[[2-(3-Aminopropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
CID 44427436
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol?
The IUPAC name of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol (CID 23345188) is 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol.
What is the SMILES notation for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol?
The canonical SMILES for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol is Cc1cc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O.
What is the InChIKey of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol?
The InChIKey is FGHCPLVGQLEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O/c1-20-18-21(8-11-27(20)34)12-15-32-16-13-24(14-17-32)30-28-31-25-4-2-3-5-26(25)33(28)19-22-6-9-23(29)10-7-22/h2-11,18,24,34H,12-17,19H2,1H3,(H,30,31).
What are the key properties of 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol?
4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol has a molecular weight of 458.58 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-2-methylphenol is sourced from PubChem (CID 23345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).