1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine

C15H20BrN3 — CID 43651263

IUPAC1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCc1[nH]c(C(N)CC(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-4-6-12(16)7-5-11/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyLPVWRTGXSLZERX-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.19
Rot. Bonds4

About 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine

1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 43651263) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID43651263
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCc1[nH]c(C(N)CC(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-4-6-12(16)7-5-11/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyLPVWRTGXSLZERX-UHFFFAOYSA-N
XLogP4.19
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 112679312
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
2-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65232861
(5R)-3-[1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutyl]-5-[4-(2-hydroxyethoxy)phenyl]imidazolidine-2,4-dione
CID 143823625
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
N-[[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63926373
N-[2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60849942
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
1-(4,5-difluoro-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 112556492

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 43651263) is 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine is Cc1[nH]c(C(N)CC(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is LPVWRTGXSLZERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-4-6-12(16)7-5-11/h4-7,9,13H,8,17H2,1-3H3,(H,18,19).
What are the key properties of 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 43651263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).