5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine

C16H22BrN3O — CID 62219092

IUPAC5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C16H22BrN3O/c1-5-8-20-15(18)14(19-16(20)10(2)3)12-9-11(17)6-7-13(12)21-4/h6-7,9-10H,5,8,18H2,1-4H3
InChIKeyYKGDBXBPCFCHGN-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.44
Rot. Bonds5

About 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine

5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine (PubChem CID 62219092) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
PubChem CID62219092
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(-c2cc(Br)ccc2OC)c1N
InChIInChI=1S/C16H22BrN3O/c1-5-8-20-15(18)14(19-16(20)10(2)3)12-9-11(17)6-7-13(12)21-4/h6-7,9-10H,5,8,18H2,1-4H3
InChIKeyYKGDBXBPCFCHGN-UHFFFAOYSA-N
XLogP4.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine (CID 62219092) is 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine is CCCn1c(C(C)C)nc(-c2cc(Br)ccc2OC)c1N.
What is the InChIKey of 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
The InChIKey is YKGDBXBPCFCHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-5-8-20-15(18)14(19-16(20)10(2)3)12-9-11(17)6-7-13(12)21-4/h6-7,9-10H,5,8,18H2,1-4H3.
What are the key properties of 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine?
5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine has a molecular weight of 352.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxyphenyl)-2-propan-2-yl-3-propylimidazol-4-amine is sourced from PubChem (CID 62219092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).