4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine

C14H20N4O — CID 82301803

IUPAC4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
SMILESCOc1ccc(-c2cn(N)c(N)n2)cc1C(C)(C)C
InChIInChI=1S/C14H20N4O/c1-14(2,3)10-7-9(5-6-12(10)19-4)11-8-18(16)13(15)17-11/h5-8H,16H2,1-4H3,(H2,15,17)
InChIKeyOYKJNQIQLWDDFQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds2

About 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine

4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine (PubChem CID 82301803) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
PubChem CID82301803
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
SMILESCOc1ccc(-c2cn(N)c(N)n2)cc1C(C)(C)C
InChIInChI=1S/C14H20N4O/c1-14(2,3)10-7-9(5-6-12(10)19-4)11-8-18(16)13(15)17-11/h5-8H,16H2,1-4H3,(H2,15,17)
InChIKeyOYKJNQIQLWDDFQ-UHFFFAOYSA-N
XLogP2.15
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-4-methoxyphenyl)-1,3-oxazole
CID 82128672
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
4-(2,3-dihydro-1H-inden-5-yl)imidazole-1,2-diamine
CID 82284524
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
3-(3-tert-butyl-4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3521834
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
CID 82294442
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine (CID 82301803) is 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine is COc1ccc(-c2cn(N)c(N)n2)cc1C(C)(C)C.
What is the InChIKey of 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine?
The InChIKey is OYKJNQIQLWDDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)10-7-9(5-6-12(10)19-4)11-8-18(16)13(15)17-11/h5-8H,16H2,1-4H3,(H2,15,17).
What are the key properties of 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine?
4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 82301803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).