4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine

C27H36FN5O2 — CID 151759396

IUPAC4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C27H36FN5O2/c1-19-14-23-26(24(15-19)35-13-10-31-8-11-34-12-9-31)30-27(32-6-4-29-5-7-32)33(23)18-22-16-20(2)25(28)21(3)17-22/h14-17,29H,4-13,18H2,1-3H3
InChIKeyRQFWNUGQSVQKLX-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.27
Rot. Bonds7

About 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine

4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine (PubChem CID 151759396) has the molecular formula C27H36FN5O2 and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine
PubChem CID151759396
Molecular FormulaC27H36FN5O2
Molecular Weight481.62 g/mol
Exact Mass481.29
IUPAC Name4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C27H36FN5O2/c1-19-14-23-26(24(15-19)35-13-10-31-8-11-34-12-9-31)30-27(32-6-4-29-5-7-32)33(23)18-22-16-20(2)25(28)21(3)17-22/h14-17,29H,4-13,18H2,1-3H3
InChIKeyRQFWNUGQSVQKLX-UHFFFAOYSA-N
XLogP3.27
TPSA54.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine 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

Branosotine
CID 146450467
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
[5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1-[(2R)-1-morpholin-4-ylpropan-2-yl]benzimidazol-2-yl]cyanamide
CID 57748781
Pwt-33597
CID 46917355
1-(3-{1-[2-(4-Iodo-phenyl)-ethyl]-piperidin-4-yl}-propyl)-2-phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 9987422
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930
2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372422
4-[2-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-ethyl]-phenol
CID 44372508
2-Phenoxymethyl-1-{3-[1-(3-phenyl-propyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372691

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine (CID 151759396) is 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine is Cc1cc(OCCN2CCOCC2)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.
What is the InChIKey of 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine?
The InChIKey is RQFWNUGQSVQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5O2/c1-19-14-23-26(24(15-19)35-13-10-31-8-11-34-12-9-31)30-27(32-6-4-29-5-7-32)33(23)18-22-16-20(2)25(28)21(3)17-22/h14-17,29H,4-13,18H2,1-3H3.
What are the key properties of 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine?
4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine has a molecular weight of 481.62 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxyethyl]morpholine is sourced from PubChem (CID 151759396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).