1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C18H27N3 — CID 114702764

IUPAC1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)10-16(19)17-11-20-12-21(17)15-8-6-14(7-9-15)18(3,4)5/h6-9,11-13,16H,10,19H2,1-5H3
InChIKeyYHUZIMNQRPFHFZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.22
Rot. Bonds4

About 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114702764) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114702764
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)10-16(19)17-11-20-12-21(17)15-8-6-14(7-9-15)18(3,4)5/h6-9,11-13,16H,10,19H2,1-5H3
InChIKeyYHUZIMNQRPFHFZ-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
CID 114706948
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
CID 114704124
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114702764) is 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is YHUZIMNQRPFHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)10-16(19)17-11-20-12-21(17)15-8-6-14(7-9-15)18(3,4)5/h6-9,11-13,16H,10,19H2,1-5H3.
What are the key properties of 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114702764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).