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

C13H16BrN3 — CID 79514852

IUPAC1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(C2CC2)CN=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-13(9-2-3-9)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyXPVCXASHUOVNEL-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.75
Rot. Bonds2

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

1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79514852) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine
PubChem CID79514852
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine
SMILESCC1(C2CC2)CN=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3/c1-13(9-2-3-9)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H2,15,16)
InChIKeyXPVCXASHUOVNEL-UHFFFAOYSA-N
XLogP2.75
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-1-(4-methoxyphenyl)-5-methyl-4H-imidazol-2-amine
CID 79498731
5-cyclopropyl-5-methyl-1-(3-methylphenyl)-4H-imidazol-2-amine
CID 79504692
1-(4-bromophenyl)-5-methyl-5-pentyl-4H-imidazol-2-amine
CID 80560168
5-(4-bromophenyl)-2-methoxy-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 106824938
1-(4-bromophenyl)-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79501399
1-(4-bromophenyl)-6-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 114502282
5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79510561
1-(4-bromophenyl)-7-ethyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79502298
5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79509925
1-(2-bromophenyl)-5-(4-bromophenyl)-5-methyl-4H-imidazol-2-amine
CID 79502893
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712
1-(3-bromophenyl)-8,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514411

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine (CID 79514852) is 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine is CC1(C2CC2)CN=C(N)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is XPVCXASHUOVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-13(9-2-3-9)8-16-12(15)17(13)11-6-4-10(14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H2,15,16).
What are the key properties of 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine?
1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-cyclopropyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).