3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline

C20H25N3O — CID 82150383

IUPAC3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
SMILESCCc1nc2cc(C)c(C)cc2n1CCCOc1cccc(N)c1
InChIInChI=1S/C20H25N3O/c1-4-20-22-18-11-14(2)15(3)12-19(18)23(20)9-6-10-24-17-8-5-7-16(21)13-17/h5,7-8,11-13H,4,6,9-10,21H2,1-3H3
InChIKeySXKRAEXJUSWUQL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.27
Rot. Bonds6

About 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline

3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline (PubChem CID 82150383) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline.

Molecular Properties

Compound Name3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
PubChem CID82150383
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline
SMILESCCc1nc2cc(C)c(C)cc2n1CCCOc1cccc(N)c1
InChIInChI=1S/C20H25N3O/c1-4-20-22-18-11-14(2)15(3)12-19(18)23(20)9-6-10-24-17-8-5-7-16(21)13-17/h5,7-8,11-13H,4,6,9-10,21H2,1-3H3
InChIKeySXKRAEXJUSWUQL-UHFFFAOYSA-N
XLogP4.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline 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

3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
CID 94757335
3-[2-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]aniline
CID 82150376
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
3-[2-(2-propylbenzimidazol-1-yl)ethoxy]aniline
CID 82097911
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
1-[3-(4-ethylphenoxy)propyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997919
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
3-(3-ethylsulfanylpropoxy)aniline
CID 43366378
2-benzyl-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16995599
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline?
The IUPAC name of 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline (CID 82150383) is 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline.
What is the SMILES notation for 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline?
The canonical SMILES for 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline is CCc1nc2cc(C)c(C)cc2n1CCCOc1cccc(N)c1.
What is the InChIKey of 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline?
The InChIKey is SXKRAEXJUSWUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-20-22-18-11-14(2)15(3)12-19(18)23(20)9-6-10-24-17-8-5-7-16(21)13-17/h5,7-8,11-13H,4,6,9-10,21H2,1-3H3.
What are the key properties of 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline?
3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline has a molecular weight of 323.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)propoxy]aniline is sourced from PubChem (CID 82150383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).