3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine

C16H21N3O — CID 62384468

IUPAC3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
SMILESCc1nc(C2CCOCC2)c(N)n1Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-18-15(14-7-9-20-10-8-14)16(17)19(12)11-13-5-3-2-4-6-13/h2-6,14H,7-11,17H2,1H3
InChIKeyNBYWUCVLTDEJTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.72
Rot. Bonds3

About 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine

3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine (PubChem CID 62384468) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
PubChem CID62384468
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine
SMILESCc1nc(C2CCOCC2)c(N)n1Cc1ccccc1
InChIInChI=1S/C16H21N3O/c1-12-18-15(14-7-9-20-10-8-14)16(17)19(12)11-13-5-3-2-4-6-13/h2-6,14H,7-11,17H2,1H3
InChIKeyNBYWUCVLTDEJTH-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine?
The IUPAC name of 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine (CID 62384468) is 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine is Cc1nc(C2CCOCC2)c(N)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine?
The InChIKey is NBYWUCVLTDEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-18-15(14-7-9-20-10-8-14)16(17)19(12)11-13-5-3-2-4-6-13/h2-6,14H,7-11,17H2,1H3.
What are the key properties of 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine?
3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-(oxan-4-yl)imidazol-4-amine is sourced from PubChem (CID 62384468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).