1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine

C14H20BrN3 — CID 79514187

IUPAC1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CC1(C)CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3/c1-10(2)8-14(3)9-17-13(16)18(14)12-6-4-5-11(15)7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17)
InChIKeyXDKBNKDAJZPDBH-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.39
Rot. Bonds3

About 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine

1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79514187) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79514187
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CC1(C)CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3/c1-10(2)8-14(3)9-17-13(16)18(14)12-6-4-5-11(15)7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17)
InChIKeyXDKBNKDAJZPDBH-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(4-methylphenyl)-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79504950
1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
CID 79514410
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411
5-(2-bromophenyl)-1-(3-bromophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501098
1-(3-bromophenyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79514184
1-(3-bromophenyl)-7,7,9-trimethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 106664522
1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
CID 79504906
1-(3-bromophenyl)-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514337
1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79505501
5-(2-methoxyethyl)-1-(3-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79514113
5-(2-methoxy-2-methylpropyl)-5-methyl-1-phenyl-4H-imidazol-2-amine
CID 79514376
1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
CID 79521016

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine (CID 79514187) is 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine is CC(C)CC1(C)CN=C(N)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is XDKBNKDAJZPDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-10(2)8-14(3)9-17-13(16)18(14)12-6-4-5-11(15)7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine?
1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79514187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).