3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine

C16H22ClN3 — CID 62220679

IUPAC3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)c(N)n1C(C)(C)C
InChIInChI=1S/C16H22ClN3/c1-5-8-13-19-14(11-9-6-7-10-12(11)17)15(18)20(13)16(2,3)4/h6-7,9-10H,5,8,18H2,1-4H3
InChIKeyQJVNXNRAGBZYSO-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.49
Rot. Bonds3

About 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine

3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine (PubChem CID 62220679) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
PubChem CID62220679
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine
SMILESCCCc1nc(-c2ccccc2Cl)c(N)n1C(C)(C)C
InChIInChI=1S/C16H22ClN3/c1-5-8-13-19-14(11-9-6-7-10-12(11)17)15(18)20(13)16(2,3)4/h6-7,9-10H,5,8,18H2,1-4H3
InChIKeyQJVNXNRAGBZYSO-UHFFFAOYSA-N
XLogP4.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine (CID 62220679) is 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine is CCCc1nc(-c2ccccc2Cl)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine?
The InChIKey is QJVNXNRAGBZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-5-8-13-19-14(11-9-6-7-10-12(11)17)15(18)20(13)16(2,3)4/h6-7,9-10H,5,8,18H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine?
3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine has a molecular weight of 291.83 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-chlorophenyl)-2-propylimidazol-4-amine is sourced from PubChem (CID 62220679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).