4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine

C15H19N3O — CID 106560077

IUPAC4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CCCO2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-10-18(11-14-8-5-9-19-14)15(16-12)17-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17)
InChIKeyUNZGTDQCLAVKQQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.11
Rot. Bonds4

About 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine

4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine (PubChem CID 106560077) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
PubChem CID106560077
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CCCO2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-10-18(11-14-8-5-9-19-14)15(16-12)17-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17)
InChIKeyUNZGTDQCLAVKQQ-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
CID 106566017
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091
N-(3-methoxypropyl)-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563918
4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
CID 106572558
2-[4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81336757
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578539
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3504498
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine (CID 106560077) is 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine is Cc1cn(CC2CCCO2)c(Nc2ccccc2)n1.
What is the InChIKey of 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine?
The InChIKey is UNZGTDQCLAVKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-10-18(11-14-8-5-9-19-14)15(16-12)17-13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,16,17).
What are the key properties of 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine?
4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106560077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).