1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine

C16H23N3O2 — CID 120971631

IUPAC1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(CNC2=NCCN2C)c(OC2CCOC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-3-4-13(10-18-16-17-6-7-19(16)2)15(9-12)21-14-5-8-20-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,17,18)
InChIKeyFJZWCAFAVKYPPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.55
Rot. Bonds4

About 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120971631) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120971631
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(CNC2=NCCN2C)c(OC2CCOC2)c1
InChIInChI=1S/C16H23N3O2/c1-12-3-4-13(10-18-16-17-6-7-19(16)2)15(9-12)21-14-5-8-20-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,17,18)
InChIKeyFJZWCAFAVKYPPU-UHFFFAOYSA-N
XLogP1.55
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120971631) is 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is Cc1ccc(CNC2=NCCN2C)c(OC2CCOC2)c1.
What is the InChIKey of 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is FJZWCAFAVKYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-3-4-13(10-18-16-17-6-7-19(16)2)15(9-12)21-14-5-8-20-11-14/h3-4,9,14H,5-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).