1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine

C14H15BrClN5 — CID 83083669

IUPAC1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1nn(C)cc1C1CN=C(N)N1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H15BrClN5/c1-8-10(7-20(2)19-8)13-6-18-14(17)21(13)9-3-4-12(16)11(15)5-9/h3-5,7,13H,6H2,1-2H3,(H2,17,18)
InChIKeyUPRASJQQFQOCQF-UHFFFAOYSA-N
MW368.67 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine

1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 83083669) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID83083669
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
SMILESCc1nn(C)cc1C1CN=C(N)N1c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H15BrClN5/c1-8-10(7-20(2)19-8)13-6-18-14(17)21(13)9-3-4-12(16)11(15)5-9/h3-5,7,13H,6H2,1-2H3,(H2,17,18)
InChIKeyUPRASJQQFQOCQF-UHFFFAOYSA-N
XLogP3.02
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine (CID 83083669) is 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is Cc1nn(C)cc1C1CN=C(N)N1c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is UPRASJQQFQOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-8-10(7-20(2)19-8)13-6-18-14(17)21(13)9-3-4-12(16)11(15)5-9/h3-5,7,13H,6H2,1-2H3,(H2,17,18).
What are the key properties of 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 368.67 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 83083669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).