3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine

C15H21N3O2 — CID 62019424

IUPAC3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cc(OC)cc(OC)c2)c1N
InChIInChI=1S/C15H21N3O2/c1-4-5-6-18-10-17-14(15(18)16)11-7-12(19-2)9-13(8-11)20-3/h7-10H,4-6,16H2,1-3H3
InChIKeyGSSYGOMCSWDICK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.95
Rot. Bonds6

About 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine

3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine (PubChem CID 62019424) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
PubChem CID62019424
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cc(OC)cc(OC)c2)c1N
InChIInChI=1S/C15H21N3O2/c1-4-5-6-18-10-17-14(15(18)16)11-7-12(19-2)9-13(8-11)20-3/h7-10H,4-6,16H2,1-3H3
InChIKeyGSSYGOMCSWDICK-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine (CID 62019424) is 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine is CCCCn1cnc(-c2cc(OC)cc(OC)c2)c1N.
What is the InChIKey of 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine?
The InChIKey is GSSYGOMCSWDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-6-18-10-17-14(15(18)16)11-7-12(19-2)9-13(8-11)20-3/h7-10H,4-6,16H2,1-3H3.
What are the key properties of 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine?
3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine has a molecular weight of 275.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62019424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).