1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine

C16H23N3O — CID 79505041

IUPAC1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(c1ccccc1)C1CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H23N3O/c1-12(13-6-3-2-4-7-13)15-10-18-16(17)19(15)11-14-8-5-9-20-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,17,18)
InChIKeyNFLAPNIDQPIILS-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.97
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine

1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505041) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505041
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine
SMILESCC(c1ccccc1)C1CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H23N3O/c1-12(13-6-3-2-4-7-13)15-10-18-16(17)19(15)11-14-8-5-9-20-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,17,18)
InChIKeyNFLAPNIDQPIILS-UHFFFAOYSA-N
XLogP1.97
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79499143
1-(Oxolan-2-ylmethyl)-5-(3,4,5-trifluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79499144
5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79499263
5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79500098
5-(2,5-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79500639
5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79500645
5-(4-Fluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79504667
5-(3,4-Difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79504806
5-(2-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504815
5-(2,3-Difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79504886
5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79505038
5-(2,5-Difluorophenyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79505039

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine (CID 79505041) is 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine is CC(c1ccccc1)C1CN=C(N)N1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NFLAPNIDQPIILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(13-6-3-2-4-7-13)15-10-18-16(17)19(15)11-14-8-5-9-20-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H2,17,18).
What are the key properties of 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine?
1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-5-(1-phenylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).