N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine

C20H23N3O — CID 57232303

IUPACN,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine
SMILESCCOCn1cnc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-2-24-17-22-15-20(21-16-22)23(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,15-16H,2,13-14,17H2,1H3
InChIKeyBFRSMBONUNHNEU-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.08
Rot. Bonds8

About N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine

N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine (PubChem CID 57232303) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine
PubChem CID57232303
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine
SMILESCCOCn1cnc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C20H23N3O/c1-2-24-17-22-15-20(21-16-22)23(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,15-16H,2,13-14,17H2,1H3
InChIKeyBFRSMBONUNHNEU-UHFFFAOYSA-N
XLogP4.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine?
The IUPAC name of N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine (CID 57232303) is N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine.
What is the SMILES notation for N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine?
The canonical SMILES for N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine is CCOCn1cnc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine?
The InChIKey is BFRSMBONUNHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-24-17-22-15-20(21-16-22)23(13-18-9-5-3-6-10-18)14-19-11-7-4-8-12-19/h3-12,15-16H,2,13-14,17H2,1H3.
What are the key properties of N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine?
N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine has a molecular weight of 321.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(ethoxymethyl)imidazol-4-amine is sourced from PubChem (CID 57232303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).