N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine

C20H23N3O — CID 15621659

IUPACN-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine
SMILESCCOCc1[nH]c(N(C)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O/c1-3-24-15-18-19(17-12-8-5-9-13-17)22-20(21-18)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,22)
InChIKeyHGXXEGROZYUKDE-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.25
Rot. Bonds7

About N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine

N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine (PubChem CID 15621659) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine
PubChem CID15621659
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine
SMILESCCOCc1[nH]c(N(C)Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H23N3O/c1-3-24-15-18-19(17-12-8-5-9-13-17)22-20(21-18)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,22)
InChIKeyHGXXEGROZYUKDE-UHFFFAOYSA-N
XLogP4.25
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine (CID 15621659) is N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine is CCOCc1[nH]c(N(C)Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine?
The InChIKey is HGXXEGROZYUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-24-15-18-19(17-12-8-5-9-13-17)22-20(21-18)23(2)14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine?
N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine has a molecular weight of 321.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(ethoxymethyl)-N-methyl-4-phenyl-1H-imidazol-2-amine is sourced from PubChem (CID 15621659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).