4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine

C14H19N3O — CID 18694797

IUPAC4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
SMILESCOc1ccc(-c2cn(CCCCN)cn2)cc1
InChIInChI=1S/C14H19N3O/c1-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-2-8-15/h4-7,10-11H,2-3,8-9,15H2,1H3
InChIKeyHWWHZGJXBLJUBJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.30
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine

4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine (PubChem CID 18694797) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
PubChem CID18694797
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
SMILESCOc1ccc(-c2cn(CCCCN)cn2)cc1
InChIInChI=1S/C14H19N3O/c1-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-2-8-15/h4-7,10-11H,2-3,8-9,15H2,1H3
InChIKeyHWWHZGJXBLJUBJ-UHFFFAOYSA-N
XLogP2.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
CID 53415933
3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
CID 82105226
N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide
CID 22911269
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
2-(4-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
4-(4-propan-2-ylimidazol-1-yl)butan-1-amine
CID 96686959
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
3-[6-(4-methoxyphenyl)-2-pyridinyl]propan-1-amine
CID 170878546
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
3-[2-(4-methoxyphenyl)-1H-imidazol-5-yl]propan-1-amine
CID 82463568
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine (CID 18694797) is 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine is COc1ccc(-c2cn(CCCCN)cn2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine?
The InChIKey is HWWHZGJXBLJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-13-6-4-12(5-7-13)14-10-17(11-16-14)9-3-2-8-15/h4-7,10-11H,2-3,8-9,15H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine?
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine is sourced from PubChem (CID 18694797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).