2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine

C25H34FN5O — CID 147483080

IUPAC2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine
SMILESCc1cc(OCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C25H34FN5O/c1-17-12-21-24(22(13-17)32-11-10-29(4)5)28-25(30-8-6-27-7-9-30)31(21)16-20-14-18(2)23(26)19(3)15-20/h12-15,27H,6-11,16H2,1-5H3
InChIKeyFEASFZRURMKXRV-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.50
Rot. Bonds7

About 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine

2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine (PubChem CID 147483080) has the molecular formula C25H34FN5O and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine
PubChem CID147483080
Molecular FormulaC25H34FN5O
Molecular Weight439.58 g/mol
Exact Mass439.27
IUPAC Name2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine
SMILESCc1cc(OCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1
InChIInChI=1S/C25H34FN5O/c1-17-12-21-24(22(13-17)32-11-10-29(4)5)28-25(30-8-6-27-7-9-30)31(21)16-20-14-18(2)23(26)19(3)15-20/h12-15,27H,6-11,16H2,1-5H3
InChIKeyFEASFZRURMKXRV-UHFFFAOYSA-N
XLogP3.50
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine 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-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
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
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-2-methyl-propenyl)-phenylamine
CID 44274930
3-(3-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44274931
3-(3-{2-Ethyl-6-[1-(1-imino-ethyl)-piperidin-4-yloxy]-benzoimidazol-1-yl}-propenyl)-phenylamine
CID 44275249
3-[3-[[5-(1-Ethanimidoylpiperidin-4-yl)oxy-2-ethylbenzimidazol-1-yl]methyl]phenyl]benzenecarboximidamide
CID 44275254
2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
CID 44372422
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 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine (CID 147483080) is 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine is Cc1cc(OCCN(C)C)c2nc(N3CCNCC3)n(Cc3cc(C)c(F)c(C)c3)c2c1.
What is the InChIKey of 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
The InChIKey is FEASFZRURMKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O/c1-17-12-21-24(22(13-17)32-11-10-29(4)5)28-25(30-8-6-27-7-9-30)31(21)16-20-14-18(2)23(26)19(3)15-20/h12-15,27H,6-11,16H2,1-5H3.
What are the key properties of 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine?
2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine has a molecular weight of 439.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-methyl-2-piperazin-1-ylbenzimidazol-4-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 147483080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).