4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine

C14H20N4O — CID 55060202

IUPAC4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCCC(C)Oc1cccc(Nc2nc(C)[nH]c2N)c1
InChIInChI=1S/C14H20N4O/c1-4-9(2)19-12-7-5-6-11(8-12)18-14-13(15)16-10(3)17-14/h5-9,18H,4,15H2,1-3H3,(H,16,17)
InChIKeyNJDMZJBBJKGNPQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.22
Rot. Bonds5

About 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine

4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine (PubChem CID 55060202) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
PubChem CID55060202
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
SMILESCCC(C)Oc1cccc(Nc2nc(C)[nH]c2N)c1
InChIInChI=1S/C14H20N4O/c1-4-9(2)19-12-7-5-6-11(8-12)18-14-13(15)16-10(3)17-14/h5-9,18H,4,15H2,1-3H3,(H,16,17)
InChIKeyNJDMZJBBJKGNPQ-UHFFFAOYSA-N
XLogP3.22
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
CID 81133161
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911
1-N-(3-butan-2-yloxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590295
4-N-(3-butan-2-yloxyphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554865
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
N-(3-butan-2-yloxyphenyl)-6-fluoropyrimidin-4-amine
CID 113305699

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine (CID 55060202) is 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine is CCC(C)Oc1cccc(Nc2nc(C)[nH]c2N)c1.
What is the InChIKey of 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine?
The InChIKey is NJDMZJBBJKGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9(2)19-12-7-5-6-11(8-12)18-14-13(15)16-10(3)17-14/h5-9,18H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine?
4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine has a molecular weight of 260.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55060202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).