1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine

C16H25N3 — CID 148740840

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(C)C1N
InChIInChI=1S/C16H25N3/c1-11(2)13-7-6-8-14(12(3)4)15(13)19-10-9-18(5)16(19)17/h6-12,16H,17H2,1-5H3
InChIKeyOCUOBYAJDFLNRJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.40
Rot. Bonds3

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine (PubChem CID 148740840) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
PubChem CID148740840
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(C)C1N
InChIInChI=1S/C16H25N3/c1-11(2)13-7-6-8-14(12(3)4)15(13)19-10-9-18(5)16(19)17/h6-12,16H,17H2,1-5H3
InChIKeyOCUOBYAJDFLNRJ-UHFFFAOYSA-N
XLogP3.40
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine (CID 148740840) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine is CC(C)c1cccc(C(C)C)c1N1C=CN(C)C1N.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine?
The InChIKey is OCUOBYAJDFLNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)13-7-6-8-14(12(3)4)15(13)19-10-9-18(5)16(19)17/h6-12,16H,17H2,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine?
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine is sourced from PubChem (CID 148740840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).