5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol

C21H15Br2N3O — CID 172561711

IUPAC5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol
SMILESOC1(c2ccccc2)N=C(c2ccccc2)N=C1Nc1ccc(Br)cc1Br
InChIInChI=1S/C21H15Br2N3O/c22-16-11-12-18(17(23)13-16)24-20-21(27,15-9-5-2-6-10-15)26-19(25-20)14-7-3-1-4-8-14/h1-13,27H,(H,24,25,26)
InChIKeyTTYZHXOVRWQYCR-UHFFFAOYSA-N
MW485.18 g/mol
LogP5.33
Rot. Bonds3

About 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol

5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol (PubChem CID 172561711) has the molecular formula C21H15Br2N3O and a molecular weight of 485.18 g/mol. Its IUPAC name is 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol.

Molecular Properties

Compound Name5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol
PubChem CID172561711
Molecular FormulaC21H15Br2N3O
Molecular Weight485.18 g/mol
Exact Mass482.96
IUPAC Name5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol
SMILESOC1(c2ccccc2)N=C(c2ccccc2)N=C1Nc1ccc(Br)cc1Br
InChIInChI=1S/C21H15Br2N3O/c22-16-11-12-18(17(23)13-16)24-20-21(27,15-9-5-2-6-10-15)26-19(25-20)14-7-3-1-4-8-14/h1-13,27H,(H,24,25,26)
InChIKeyTTYZHXOVRWQYCR-UHFFFAOYSA-N
XLogP5.33
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.18
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol?
The IUPAC name of 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol (CID 172561711) is 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol.
What is the SMILES notation for 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol?
The canonical SMILES for 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol is OC1(c2ccccc2)N=C(c2ccccc2)N=C1Nc1ccc(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol?
The InChIKey is TTYZHXOVRWQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Br2N3O/c22-16-11-12-18(17(23)13-16)24-20-21(27,15-9-5-2-6-10-15)26-19(25-20)14-7-3-1-4-8-14/h1-13,27H,(H,24,25,26).
What are the key properties of 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol?
5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol has a molecular weight of 485.18 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromoanilino)-2,4-diphenylimidazol-4-ol is sourced from PubChem (CID 172561711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).