5,15-bis(1-methylimidazol-2-yl)porphyrin

C28H20N8 — CID 67022223

IUPAC5,15-bis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C28H20N8/c1-35-13-11-29-27(35)25-21-7-3-17(31-21)15-19-5-9-23(33-19)26(28-30-12-14-36(28)2)24-10-6-20(34-24)16-18-4-8-22(25)32-18/h3-16H,1-2H3/b17-15-,18-16-,19-15-,20-16-,25-21+,25-22+,26-23+,26-24+
InChIKeyJKKDRXGNIMYGPP-XHLKSAJSSA-N
MW468.52 g/mol
LogP4.10
Rot. Bonds2

About 5,15-bis(1-methylimidazol-2-yl)porphyrin

5,15-bis(1-methylimidazol-2-yl)porphyrin (PubChem CID 67022223) has the molecular formula C28H20N8 and a molecular weight of 468.52 g/mol. Its IUPAC name is 5,15-bis(1-methylimidazol-2-yl)porphyrin.

Molecular Properties

Compound Name5,15-bis(1-methylimidazol-2-yl)porphyrin
PubChem CID67022223
Molecular FormulaC28H20N8
Molecular Weight468.52 g/mol
Exact Mass468.18
IUPAC Name5,15-bis(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C28H20N8/c1-35-13-11-29-27(35)25-21-7-3-17(31-21)15-19-5-9-23(33-19)26(28-30-12-14-36(28)2)24-10-6-20(34-24)16-18-4-8-22(25)32-18/h3-16H,1-2H3/b17-15-,18-16-,19-15-,20-16-,25-21+,25-22+,26-23+,26-24+
InChIKeyJKKDRXGNIMYGPP-XHLKSAJSSA-N
XLogP4.10
TPSA85.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(1-methylimidazol-2-yl)porphyrin?
The IUPAC name of 5,15-bis(1-methylimidazol-2-yl)porphyrin (CID 67022223) is 5,15-bis(1-methylimidazol-2-yl)porphyrin.
What is the SMILES notation for 5,15-bis(1-methylimidazol-2-yl)porphyrin?
The canonical SMILES for 5,15-bis(1-methylimidazol-2-yl)porphyrin is Cn1ccnc1/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(c2nccn2C)=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5,15-bis(1-methylimidazol-2-yl)porphyrin?
The InChIKey is JKKDRXGNIMYGPP-XHLKSAJSSA-N. The full InChI is InChI=1S/C28H20N8/c1-35-13-11-29-27(35)25-21-7-3-17(31-21)15-19-5-9-23(33-19)26(28-30-12-14-36(28)2)24-10-6-20(34-24)16-18-4-8-22(25)32-18/h3-16H,1-2H3/b17-15-,18-16-,19-15-,20-16-,25-21+,25-22+,26-23+,26-24+.
What are the key properties of 5,15-bis(1-methylimidazol-2-yl)porphyrin?
5,15-bis(1-methylimidazol-2-yl)porphyrin has a molecular weight of 468.52 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(1-methylimidazol-2-yl)porphyrin is sourced from PubChem (CID 67022223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).