3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine

C15H21N3O2 — CID 62019246

IUPAC3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cc(OC)ccc2OC)c1N
InChIInChI=1S/C15H21N3O2/c1-4-5-8-18-10-17-14(15(18)16)12-9-11(19-2)6-7-13(12)20-3/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyOTKWBDQQBTVCIS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.95
Rot. Bonds6

About 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine

3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine (PubChem CID 62019246) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
PubChem CID62019246
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine
SMILESCCCCn1cnc(-c2cc(OC)ccc2OC)c1N
InChIInChI=1S/C15H21N3O2/c1-4-5-8-18-10-17-14(15(18)16)12-9-11(19-2)6-7-13(12)20-3/h6-7,9-10H,4-5,8,16H2,1-3H3
InChIKeyOTKWBDQQBTVCIS-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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Related Compounds

5-(5-bromo-2-methoxyphenyl)-3-butylimidazol-4-amine
CID 62019600
3-butyl-5-(3,5-dimethoxyphenyl)imidazol-4-amine
CID 62019424
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
CID 65022689
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
3-propyl-5-(2,3,4-trimethoxyphenyl)imidazol-4-amine
CID 62019037
3-butyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
CID 62125231
5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
CID 62131367
4-(2,5-dimethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62506594
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
5-(3-bromophenyl)-3-butylimidazol-4-amine
CID 62017743

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine (CID 62019246) is 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine is CCCCn1cnc(-c2cc(OC)ccc2OC)c1N.
What is the InChIKey of 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine?
The InChIKey is OTKWBDQQBTVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-8-18-10-17-14(15(18)16)12-9-11(19-2)6-7-13(12)20-3/h6-7,9-10H,4-5,8,16H2,1-3H3.
What are the key properties of 3-butyl-5-(2,5-dimethoxyphenyl)imidazol-4-amine?
3-butyl-5-(2,5-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-(2,5-dimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62019246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).