3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine

C15H19Cl2N3 — CID 63468358

IUPAC3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C15H19Cl2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)10-7-6-8-11(16)13(10)17/h6-8H,3-5,9,18H2,1-2H3
InChIKeyYWVPWQGJDIQYDA-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.80
Rot. Bonds5

About 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine

3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine (PubChem CID 63468358) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
PubChem CID63468358
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2cccc(Cl)c2Cl)c1N
InChIInChI=1S/C15H19Cl2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)10-7-6-8-11(16)13(10)17/h6-8H,3-5,9,18H2,1-2H3
InChIKeyYWVPWQGJDIQYDA-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine (CID 63468358) is 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine is CCCCn1c(CC)nc(-c2cccc(Cl)c2Cl)c1N.
What is the InChIKey of 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine?
The InChIKey is YWVPWQGJDIQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-3-5-9-20-12(4-2)19-14(15(20)18)10-7-6-8-11(16)13(10)17/h6-8H,3-5,9,18H2,1-2H3.
What are the key properties of 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine?
3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine has a molecular weight of 312.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2,3-dichlorophenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 63468358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).