3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine

C16H22ClN3 — CID 63469463

IUPAC3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H22ClN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyHEIDDUORSXOEHD-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.71
Rot. Bonds5

About 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine

3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 63469463) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
PubChem CID63469463
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine
SMILESCCCCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H22ClN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3
InChIKeyHEIDDUORSXOEHD-UHFFFAOYSA-N
XLogP4.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine (CID 63469463) is 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine is CCCCn1c(C(C)C)nc(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is HEIDDUORSXOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-5-10-20-15(18)14(19-16(20)11(2)3)12-6-8-13(17)9-7-12/h6-9,11H,4-5,10,18H2,1-3H3.
What are the key properties of 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine?
3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 291.83 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-chlorophenyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63469463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).