2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine

C18H18BrN3 — CID 69350442

IUPAC2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(Br)c2)n1
InChIInChI=1S/C18H18BrN3/c1-11(2)18-21-16(13-7-5-8-14(19)10-13)17(22-18)15-9-4-6-12(3)20-15/h4-11H,1-3H3,(H,21,22)
InChIKeyRTQXQPJRVCYLAF-UHFFFAOYSA-N
MW356.27 g/mol
LogP5.33
Rot. Bonds3

About 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine

2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine (PubChem CID 69350442) has the molecular formula C18H18BrN3 and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
PubChem CID69350442
Molecular FormulaC18H18BrN3
Molecular Weight356.27 g/mol
Exact Mass355.07
IUPAC Name2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(Br)c2)n1
InChIInChI=1S/C18H18BrN3/c1-11(2)18-21-16(13-7-5-8-14(19)10-13)17(22-18)15-9-4-6-12(3)20-15/h4-11H,1-3H3,(H,21,22)
InChIKeyRTQXQPJRVCYLAF-UHFFFAOYSA-N
XLogP5.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine (CID 69350442) is 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(Br)c2)n1.
What is the InChIKey of 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?
The InChIKey is RTQXQPJRVCYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3/c1-11(2)18-21-16(13-7-5-8-14(19)10-13)17(22-18)15-9-4-6-12(3)20-15/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine?
2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine has a molecular weight of 356.27 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 69350442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).