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

C17H25N3O2 — CID 120971615

IUPAC1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(CNC2=NCCN2C)c(OCC2CCCO2)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-6-14(11-19-17-18-7-8-20(17)2)16(10-13)22-12-15-4-3-9-21-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,18,19)
InChIKeyRFHUUKAIHSHGMU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.94
Rot. Bonds5

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

1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120971615) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120971615
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(CNC2=NCCN2C)c(OCC2CCCO2)c1
InChIInChI=1S/C17H25N3O2/c1-13-5-6-14(11-19-17-18-7-8-20(17)2)16(10-13)22-12-15-4-3-9-21-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,18,19)
InChIKeyRFHUUKAIHSHGMU-UHFFFAOYSA-N
XLogP1.94
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-4-methylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971604
1-methyl-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120971631
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
4-[[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid
CID 122031979
N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419805
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
N-[[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 97320450
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
2-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977012
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120971615) is 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is Cc1ccc(CNC2=NCCN2C)c(OCC2CCCO2)c1.
What is the InChIKey of 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is RFHUUKAIHSHGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-5-6-14(11-19-17-18-7-8-20(17)2)16(10-13)22-12-15-4-3-9-21-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 1.94, 5 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-2-ylmethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).