(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin

C28H22N8 — CID 135750035

IUPAC(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin
SMILESCN1C=CN/C1=C1\C2=N/C(=C\C3=N/C(=C(/c4nccn4C)C4=N/C(=C\c5ccc1[nH]5)C=C4)C=C3)C=C2
InChIInChI=1S/C28H22N8/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/h3-16,29,31H,1-2H3/b18-16-,19-15-,26-24+,27-25+
InChIKeyAHQDUYIXOSYLLX-GOYMELIOSA-N
MW470.54 g/mol
LogP4.11
Rot. Bonds1

About (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin

(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin (PubChem CID 135750035) has the molecular formula C28H22N8 and a molecular weight of 470.54 g/mol. Its IUPAC name is (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin.

Molecular Properties

Compound Name(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin
PubChem CID135750035
Molecular FormulaC28H22N8
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC Name(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin
SMILESCN1C=CN/C1=C1\C2=N/C(=C\C3=N/C(=C(/c4nccn4C)C4=N/C(=C\c5ccc1[nH]5)C=C4)C=C3)C=C2
InChIInChI=1S/C28H22N8/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/h3-16,29,31H,1-2H3/b18-16-,19-15-,26-24+,27-25+
InChIKeyAHQDUYIXOSYLLX-GOYMELIOSA-N
XLogP4.11
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-imidazol-2-yl)pyridine
CID 589313
Aeol-10150
CID 10373834
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
1-Methyl-4-piperidin-4-ylidene-1,4,8,9-tetrahydro-1,5,7a-triaza-cyclopenta[f]azulene
CID 11230971
N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 59728194
2-(2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl)-6-(pyrrolidin-1-yl)pyridine
CID 72706471
2-[3-(1H-imidazol-5-yl)propyl]pyridine
CID 11286909
1-cyano-3-[[5-[2-(ethylamino)-4-pyridinyl]-1H-imidazol-2-yl]methyl]-2-methylguanidine
CID 13676593
1-cyano-3-[4-(1H-imidazol-5-yl)butyl]-2-(3-pyridin-2-ylpropyl)guanidine
CID 44482028
2-{1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-2-yl}pyridine
CID 56749720
5-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-(5-ethylpyridin-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56878086

Frequently Asked Questions

What is the IUPAC name of (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin?
The IUPAC name of (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin (CID 135750035) is (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin.
What is the SMILES notation for (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin?
The canonical SMILES for (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin is CN1C=CN/C1=C1\C2=N/C(=C\C3=N/C(=C(/c4nccn4C)C4=N/C(=C\c5ccc1[nH]5)C=C4)C=C3)C=C2.
What is the InChIKey of (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin?
The InChIKey is AHQDUYIXOSYLLX-GOYMELIOSA-N. The full InChI is InChI=1S/C28H22N8/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/h3-16,29,31H,1-2H3/b18-16-,19-15-,26-24+,27-25+.
What are the key properties of (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin?
(5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin has a molecular weight of 470.54 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-15-(1-methylimidazol-2-yl)-5-(3-methyl-1H-imidazol-2-ylidene)-21H-porphyrin is sourced from PubChem (CID 135750035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).