5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin

C27H26N6O2 — CID 91443446

IUPAC5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin
SMILESCCC1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc(n2OC)C=c2ccc([nH]2)=Cc2ccc1n2OC
InChIInChI=1S/C27H26N6O2/c1-4-21-22-9-10-23(31-22)26(27-28-13-14-29-27)25-12-8-20(33(25)35-3)16-18-6-5-17(30-18)15-19-7-11-24(21)32(19)34-2/h5-16,30-31H,4H2,1-3H3,(H,28,29)
InChIKeyFANZHKRHPJUVMW-UHFFFAOYSA-N
MW466.55 g/mol
LogP0.61
Rot. Bonds4

About 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin

5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin (PubChem CID 91443446) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin
PubChem CID91443446
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin
SMILESCCC1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc(n2OC)C=c2ccc([nH]2)=Cc2ccc1n2OC
InChIInChI=1S/C27H26N6O2/c1-4-21-22-9-10-23(31-22)26(27-28-13-14-29-27)25-12-8-20(33(25)35-3)16-18-6-5-17(30-18)15-19-7-11-24(21)32(19)34-2/h5-16,30-31H,4H2,1-3H3,(H,28,29)
InChIKeyFANZHKRHPJUVMW-UHFFFAOYSA-N
XLogP0.61
TPSA88.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin?
The IUPAC name of 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin (CID 91443446) is 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin.
What is the SMILES notation for 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin?
The canonical SMILES for 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin is CCC1=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc(n2OC)C=c2ccc([nH]2)=Cc2ccc1n2OC.
What is the InChIKey of 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin?
The InChIKey is FANZHKRHPJUVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-4-21-22-9-10-23(31-22)26(27-28-13-14-29-27)25-12-8-20(33(25)35-3)16-18-6-5-17(30-18)15-19-7-11-24(21)32(19)34-2/h5-16,30-31H,4H2,1-3H3,(H,28,29).
What are the key properties of 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin?
5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin has a molecular weight of 466.55 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin is sourced from PubChem (CID 91443446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).