2-(1-methylimidazol-2-yl)porphyrin

C24H16N6 — CID 174369722

IUPAC2-(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C24H16N6/c1-30-9-8-25-24(30)22-13-21-12-19-5-4-17(27-19)10-15-2-3-16(26-15)11-18-6-7-20(28-18)14-23(22)29-21/h2-14H,1H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,23-14-
InChIKeyGHDBWOQIZBKBJR-VCLXWBCXSA-N
MW388.43 g/mol
LogP3.84
Rot. Bonds1

About 2-(1-methylimidazol-2-yl)porphyrin

2-(1-methylimidazol-2-yl)porphyrin (PubChem CID 174369722) has the molecular formula C24H16N6 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)porphyrin.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)porphyrin
PubChem CID174369722
Molecular FormulaC24H16N6
Molecular Weight388.43 g/mol
Exact Mass388.14
IUPAC Name2-(1-methylimidazol-2-yl)porphyrin
SMILESCn1ccnc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C24H16N6/c1-30-9-8-25-24(30)22-13-21-12-19-5-4-17(27-19)10-15-2-3-16(26-15)11-18-6-7-20(28-18)14-23(22)29-21/h2-14H,1H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,23-14-
InChIKeyGHDBWOQIZBKBJR-VCLXWBCXSA-N
XLogP3.84
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)porphyrin?
The IUPAC name of 2-(1-methylimidazol-2-yl)porphyrin (CID 174369722) is 2-(1-methylimidazol-2-yl)porphyrin.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)porphyrin?
The canonical SMILES for 2-(1-methylimidazol-2-yl)porphyrin is Cn1ccnc1C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)porphyrin?
The InChIKey is GHDBWOQIZBKBJR-VCLXWBCXSA-N. The full InChI is InChI=1S/C24H16N6/c1-30-9-8-25-24(30)22-13-21-12-19-5-4-17(27-19)10-15-2-3-16(26-15)11-18-6-7-20(28-18)14-23(22)29-21/h2-14H,1H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-14-,21-12-,23-14-.
What are the key properties of 2-(1-methylimidazol-2-yl)porphyrin?
2-(1-methylimidazol-2-yl)porphyrin has a molecular weight of 388.43 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)porphyrin is sourced from PubChem (CID 174369722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).