N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine

C18H21N3O — CID 59784797

IUPACN,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine
SMILESCc1cccc2[nH]c(-c3cccc(OCCN(C)C)c3)nc12
InChIInChI=1S/C18H21N3O/c1-13-6-4-9-16-17(13)20-18(19-16)14-7-5-8-15(12-14)22-11-10-21(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyIFBIGYQOVIULDH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.48
Rot. Bonds5

About N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine

N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine (PubChem CID 59784797) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine
PubChem CID59784797
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine
SMILESCc1cccc2[nH]c(-c3cccc(OCCN(C)C)c3)nc12
InChIInChI=1S/C18H21N3O/c1-13-6-4-9-16-17(13)20-18(19-16)14-7-5-8-15(12-14)22-11-10-21(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyIFBIGYQOVIULDH-UHFFFAOYSA-N
XLogP3.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine (CID 59784797) is N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine is Cc1cccc2[nH]c(-c3cccc(OCCN(C)C)c3)nc12.
What is the InChIKey of N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine?
The InChIKey is IFBIGYQOVIULDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-4-9-16-17(13)20-18(19-16)14-7-5-8-15(12-14)22-11-10-21(2)3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine?
N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 59784797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).