1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine

C16H23N3 — CID 106580834

IUPAC1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(C(C)C(C)(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-12-11-19(13(2)16(3,4)5)15(17-12)18-14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H,17,18)
InChIKeyDKESMPWGEMONQB-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.54
Rot. Bonds3

About 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine

1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106580834) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106580834
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(C(C)C(C)(C)C)c(Nc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-12-11-19(13(2)16(3,4)5)15(17-12)18-14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H,17,18)
InChIKeyDKESMPWGEMONQB-UHFFFAOYSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine (CID 106580834) is 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(C(C)C(C)(C)C)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is DKESMPWGEMONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-11-19(13(2)16(3,4)5)15(17-12)18-14-9-7-6-8-10-14/h6-11,13H,1-5H3,(H,17,18).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine?
1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106580834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).