1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine

C16H23N3 — CID 106567350

IUPAC1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCCn1cc(C)nc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-19-11-13(4)18-16(19)17-10-14-6-8-15(9-7-14)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyNUZYXWOENQHJCO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.95
Rot. Bonds5

About 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine

1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (PubChem CID 106567350) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
PubChem CID106567350
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
SMILESCCn1cc(C)nc1NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H23N3/c1-5-19-11-13(4)18-16(19)17-10-14-6-8-15(9-7-14)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18)
InChIKeyNUZYXWOENQHJCO-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine (CID 106567350) is 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is CCn1cc(C)nc1NCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
The InChIKey is NUZYXWOENQHJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19-11-13(4)18-16(19)17-10-14-6-8-15(9-7-14)12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine?
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106567350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).