1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine

C14H16BrN5 — CID 79596125

IUPAC1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1c(C2CN=C(N)N2c2ccc(Br)cc2)cnn1C
InChIInChI=1S/C14H16BrN5/c1-9-12(7-18-19(9)2)13-8-17-14(16)20(13)11-5-3-10(15)4-6-11/h3-7,13H,8H2,1-2H3,(H2,16,17)
InChIKeyOWIQGTGOWUONTR-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.37
Rot. Bonds2

About 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine

1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79596125) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79596125
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1c(C2CN=C(N)N2c2ccc(Br)cc2)cnn1C
InChIInChI=1S/C14H16BrN5/c1-9-12(7-18-19(9)2)13-8-17-14(16)20(13)11-5-3-10(15)4-6-11/h3-7,13H,8H2,1-2H3,(H2,16,17)
InChIKeyOWIQGTGOWUONTR-UHFFFAOYSA-N
XLogP2.37
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 79596125) is 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is Cc1c(C2CN=C(N)N2c2ccc(Br)cc2)cnn1C.
What is the InChIKey of 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is OWIQGTGOWUONTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c1-9-12(7-18-19(9)2)13-8-17-14(16)20(13)11-5-3-10(15)4-6-11/h3-7,13H,8H2,1-2H3,(H2,16,17).
What are the key properties of 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 334.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-(1,5-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79596125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).