2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine

C20H25N3O — CID 82145306

IUPAC2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(COc3cccc(C)c3C)n(CCN)c2cc1C
InChIInChI=1S/C20H25N3O/c1-13-6-5-7-19(16(13)4)24-12-20-22-17-10-14(2)15(3)11-18(17)23(20)9-8-21/h5-7,10-11H,8-9,12,21H2,1-4H3
InChIKeyGXLNVSXBGBLTEL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.81
Rot. Bonds5

About 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine

2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine (PubChem CID 82145306) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
PubChem CID82145306
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
SMILESCc1cc2nc(COc3cccc(C)c3C)n(CCN)c2cc1C
InChIInChI=1S/C20H25N3O/c1-13-6-5-7-19(16(13)4)24-12-20-22-17-10-14(2)15(3)11-18(17)23(20)9-8-21/h5-7,10-11H,8-9,12,21H2,1-4H3
InChIKeyGXLNVSXBGBLTEL-UHFFFAOYSA-N
XLogP3.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
2-[6-chloro-2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309426
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
2-[(2-chlorophenoxy)methyl]-1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazole
CID 16997332
2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid
CID 46308548
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
1-[3-(2,3-dimethylphenoxy)propyl]-2-(methoxymethyl)benzimidazole
CID 16996898
2-[2-[(3-methoxyphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82149347
2-[(2,3-dimethylphenoxy)methyl]-1-ethylbenzimidazol-4-amine
CID 82068193
1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308244
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
1-(3-bromopropyl)-2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazole
CID 21188832

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine (CID 82145306) is 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine is Cc1cc2nc(COc3cccc(C)c3C)n(CCN)c2cc1C.
What is the InChIKey of 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine?
The InChIKey is GXLNVSXBGBLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-13-6-5-7-19(16(13)4)24-12-20-22-17-10-14(2)15(3)11-18(17)23(20)9-8-21/h5-7,10-11H,8-9,12,21H2,1-4H3.
What are the key properties of 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine?
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82145306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).