N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine

C15H20BrN3 — CID 63926373

IUPACN-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1[nH]c(CNC(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-10-14(11-5-7-12(16)8-6-11)19-13(18-10)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19)
InChIKeyUELRFWPSWUBVKD-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.04
Rot. Bonds3

About N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63926373) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63926373
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1[nH]c(CNC(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-10-14(11-5-7-12(16)8-6-11)19-13(18-10)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19)
InChIKeyUELRFWPSWUBVKD-UHFFFAOYSA-N
XLogP4.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 63926373) is N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine is Cc1[nH]c(CNC(C)(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is UELRFWPSWUBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-14(11-5-7-12(16)8-6-11)19-13(18-10)9-17-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19).
What are the key properties of N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63926373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).