4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine

C20H22BrN3O — CID 86687819

IUPAC4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine
SMILESCc1cccc(Cn2c(C)nc3c(Br)cc(N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22BrN3O/c1-14-4-3-5-16(10-14)13-24-15(2)22-20-18(21)11-17(12-19(20)24)23-6-8-25-9-7-23/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyPDLSEZFPKIFURP-UHFFFAOYSA-N
MW400.32 g/mol
LogP4.30
Rot. Bonds3

About 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine

4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine (PubChem CID 86687819) has the molecular formula C20H22BrN3O and a molecular weight of 400.32 g/mol. Its IUPAC name is 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine
PubChem CID86687819
Molecular FormulaC20H22BrN3O
Molecular Weight400.32 g/mol
Exact Mass399.09
IUPAC Name4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine
SMILESCc1cccc(Cn2c(C)nc3c(Br)cc(N4CCOCC4)cc32)c1
InChIInChI=1S/C20H22BrN3O/c1-14-4-3-5-16(10-14)13-24-15(2)22-20-18(21)11-17(12-19(20)24)23-6-8-25-9-7-23/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyPDLSEZFPKIFURP-UHFFFAOYSA-N
XLogP4.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]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

4-[7-bromo-2-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]benzimidazol-5-yl]morpholine
CID 56960542
4-(3-benzyl-2-methyl-7-nitrobenzimidazol-5-yl)morpholine
CID 66976692
4-[7-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylbenzimidazol-5-yl]morpholine;4-[3-[(2,3-dichlorophenyl)methyl]-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 157366317
4-[7-bromo-3-[(3-chloro-2-methylphenyl)methyl]-2-(trifluoromethyl)benzimidazol-5-yl]morpholine
CID 86687845
4-[3-[(2,3-dichlorophenyl)methyl]-7-fluoro-2-methylbenzimidazol-5-yl]morpholine
CID 56959380
1-[(2,3-dichlorophenyl)methyl]-2-methyl-6-morpholin-4-ylbenzimidazol-4-ol
CID 66976776
4-[2-methyl-3-(naphthalen-1-ylmethyl)-7-nitrosobenzimidazol-5-yl]morpholine
CID 87277230
1-[2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]ethanone
CID 67101968
4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 154883066
[2-(difluoromethyl)-1-[[3-(fluoromethyl)-2-methylphenyl]methyl]-6-morpholin-4-ylbenzimidazol-4-yl]boronic acid
CID 90278362
1-[(3-methylphenyl)methyl]-N-(oxan-4-yl)benzimidazol-2-amine
CID 158694216
[1-[(3-chloro-2-methylphenyl)methyl]-2-(difluoromethyl)-6-morpholin-4-ylbenzimidazol-4-yl]boronic acid
CID 71599547

Frequently Asked Questions

What is the IUPAC name of 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine (CID 86687819) is 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine is Cc1cccc(Cn2c(C)nc3c(Br)cc(N4CCOCC4)cc32)c1.
What is the InChIKey of 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine?
The InChIKey is PDLSEZFPKIFURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O/c1-14-4-3-5-16(10-14)13-24-15(2)22-20-18(21)11-17(12-19(20)24)23-6-8-25-9-7-23/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine?
4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine has a molecular weight of 400.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine is sourced from PubChem (CID 86687819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).