3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine

C17H25N3O — CID 62495773

IUPAC3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(OCCC)cc2)c1N
InChIInChI=1S/C17H25N3O/c1-4-6-11-20-13(3)19-16(17(20)18)14-7-9-15(10-8-14)21-12-5-2/h7-10H,4-6,11-12,18H2,1-3H3
InChIKeyAXEXTAVGYADRAA-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.03
Rot. Bonds7

About 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine

3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine (PubChem CID 62495773) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
PubChem CID62495773
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCCn1c(C)nc(-c2ccc(OCCC)cc2)c1N
InChIInChI=1S/C17H25N3O/c1-4-6-11-20-13(3)19-16(17(20)18)14-7-9-15(10-8-14)21-12-5-2/h7-10H,4-6,11-12,18H2,1-3H3
InChIKeyAXEXTAVGYADRAA-UHFFFAOYSA-N
XLogP4.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine (CID 62495773) is 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine is CCCCn1c(C)nc(-c2ccc(OCCC)cc2)c1N.
What is the InChIKey of 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine?
The InChIKey is AXEXTAVGYADRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-11-20-13(3)19-16(17(20)18)14-7-9-15(10-8-14)21-12-5-2/h7-10H,4-6,11-12,18H2,1-3H3.
What are the key properties of 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine?
3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62495773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).