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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Related Compounds

2-methyl-6-[4-[3-(4-methylsulfonylphenyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]pyridine
CID 11647672
2-methoxy-5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]pyridine
CID 69350556
5-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]thiophene-2-carboxamide
CID 69361682
2-[4-[3-(3,4-dihydro-2H-thiochromen-6-yl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
CID 69350797
2-[4-[4-fluoro-3-(5-methylsulfonyl-2-pyridinyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]-6-methylpyridine
CID 69350796
N-[3-fluoro-4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]cyclopropanesulfonamide
CID 69351235
1-[4-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
CID 11663298
1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
CID 69351009
4-[2-[4-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenoxy]ethyl]morpholine
CID 69350657
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
CID 55047681

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).