5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin

C26H20N8 — CID 91447595

IUPAC5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C(c2ncc[nH]2)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2
InChIInChI=1S/C26H20N8/c1-2-16-14-18-4-6-20(33-18)24(26-29-11-12-30-26)22-8-7-21(34-22)23(25-27-9-10-28-25)19-5-3-17(32-19)13-15(1)31-16/h1-14,31-34H,(H,27,28)(H,29,30)
InChIKeyFVFHZHKCLFQMOS-UHFFFAOYSA-N
MW444.50 g/mol
LogP0.91
Rot. Bonds2

About 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin

5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 91447595) has the molecular formula C26H20N8 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
PubChem CID91447595
Molecular FormulaC26H20N8
Molecular Weight444.50 g/mol
Exact Mass444.18
IUPAC Name5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
SMILESC1=c2ccc([nH]2)=Cc2ccc([nH]2)C(c2ncc[nH]2)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2
InChIInChI=1S/C26H20N8/c1-2-16-14-18-4-6-20(33-18)24(26-29-11-12-30-26)22-8-7-21(34-22)23(25-27-9-10-28-25)19-5-3-17(32-19)13-15(1)31-16/h1-14,31-34H,(H,27,28)(H,29,30)
InChIKeyFVFHZHKCLFQMOS-UHFFFAOYSA-N
XLogP0.91
TPSA120.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 50.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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Related Compounds

2-(10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 57249798
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CID 91607020
5-ethyl-20-(1H-imidazol-2-yl)-22,24-dimethoxy-21,23-dihydroporphyrin
CID 91443446
(5Z,9Z,15Z,19Z)-5,15-bis[2-(methoxymethyl)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 101267150
5-(1H-imidazol-2-yl)-1H-pyrrol-2-amine
CID 45078987
5,10-di(tridecyl)-21,22,23,24-tetrahydroporphyrin
CID 91376378
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
5,10-bis[3-(3-bromopropoxy)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 91354652
ethane;2-phenyl-1H-imidazole
CID 142210082
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
4-[3-[15-[3-[4-(dimethylamino)phenyl]sulfanylphenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]sulfanyl-N,N-dimethylaniline
CID 91078033
2-(21,22,23,24-tetrahydroporphyrin-5-ylmethylidene)propanedioic acid
CID 90700882

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin (CID 91447595) is 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin is C1=c2ccc([nH]2)=Cc2ccc([nH]2)C(c2ncc[nH]2)=c2ccc([nH]2)=C(c2ncc[nH]2)c2ccc1[nH]2.
What is the InChIKey of 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is FVFHZHKCLFQMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8/c1-2-16-14-18-4-6-20(33-18)24(26-29-11-12-30-26)22-8-7-21(34-22)23(25-27-9-10-28-25)19-5-3-17(32-19)13-15(1)31-16/h1-14,31-34H,(H,27,28)(H,29,30).
What are the key properties of 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin?
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 444.50 g/mol, XLogP of 0.91, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 91447595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).