2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine

C20H13ClN6 — CID 87753124

IUPAC2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine
SMILESClc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C20H13ClN6/c21-20-26-17(16-18(27-20)23-11-22-16)19-24-14(12-7-3-1-4-8-12)15(25-19)13-9-5-2-6-10-13/h1-11H,(H,24,25)(H,22,23,26,27)
InChIKeyUDMPAFPKJIWQOG-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine

2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine (PubChem CID 87753124) has the molecular formula C20H13ClN6 and a molecular weight of 372.82 g/mol. Its IUPAC name is 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine.

Molecular Properties

Compound Name2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine
PubChem CID87753124
Molecular FormulaC20H13ClN6
Molecular Weight372.82 g/mol
Exact Mass372.09
IUPAC Name2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine
SMILESClc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C20H13ClN6/c21-20-26-17(16-18(27-20)23-11-22-16)19-24-14(12-7-3-1-4-8-12)15(25-19)13-9-5-2-6-10-13/h1-11H,(H,24,25)(H,22,23,26,27)
InChIKeyUDMPAFPKJIWQOG-UHFFFAOYSA-N
XLogP4.73
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine?
The IUPAC name of 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine (CID 87753124) is 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine.
What is the SMILES notation for 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine?
The canonical SMILES for 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine is Clc1nc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine?
The InChIKey is UDMPAFPKJIWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6/c21-20-26-17(16-18(27-20)23-11-22-16)19-24-14(12-7-3-1-4-8-12)15(25-19)13-9-5-2-6-10-13/h1-11H,(H,24,25)(H,22,23,26,27).
What are the key properties of 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine?
2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine has a molecular weight of 372.82 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4,5-diphenyl-1H-imidazol-2-yl)-7H-purine is sourced from PubChem (CID 87753124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).