2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine

C16H23N3 — CID 62218997

IUPAC2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C16H23N3/c1-6-19-14(17)13(18-15(19)16(3,4)5)12-9-7-8-11(2)10-12/h7-10H,6,17H2,1-5H3
InChIKeyWMDSMKMKDSUSMJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.76
Rot. Bonds2

About 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine

2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine (PubChem CID 62218997) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine
PubChem CID62218997
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine
SMILESCCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C16H23N3/c1-6-19-14(17)13(18-15(19)16(3,4)5)12-9-7-8-11(2)10-12/h7-10H,6,17H2,1-5H3
InChIKeyWMDSMKMKDSUSMJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
CID 63468560
2,3-diethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62225267
3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
CID 62222262
3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 62218294
2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
CID 81166343
5-(3-bromo-4-chlorophenyl)-2-tert-butyl-3-ethylimidazol-4-amine
CID 83229900
2-tert-butyl-5-(2,6-dichlorophenyl)-3-ethylimidazol-4-amine
CID 62219680
2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096311
2-tert-butyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 62220774
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
5-(3-chlorophenyl)-3-ethyl-2-phenylimidazol-4-amine
CID 63468761

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine?
The IUPAC name of 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine (CID 62218997) is 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine?
The canonical SMILES for 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine is CCn1c(C(C)(C)C)nc(-c2cccc(C)c2)c1N.
What is the InChIKey of 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine?
The InChIKey is WMDSMKMKDSUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-19-14(17)13(18-15(19)16(3,4)5)12-9-7-8-11(2)10-12/h7-10H,6,17H2,1-5H3.
What are the key properties of 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine?
2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62218997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).