5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

C30H25F3N8 — CID 123662207

IUPAC5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESCC1=c2ccc([nH]2)=C(c2nccn2C)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2nccn2C)c2ccc1[nH]2
InChIInChI=1S/C30H25F3N8/c1-16-17-4-6-19(36-17)25(28-34-12-14-40(28)2)21-8-10-23(38-21)27(30(31,32)33)24-11-9-22(39-24)26(20-7-5-18(16)37-20)29-35-13-15-41(29)3/h4-15,36-39H,1-3H3
InChIKeyRNUBKBQDHCPURY-UHFFFAOYSA-N
MW554.58 g/mol
LogP2.25
Rot. Bonds2

About 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin

5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 123662207) has the molecular formula C30H25F3N8 and a molecular weight of 554.58 g/mol. Its IUPAC name is 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID123662207
Molecular FormulaC30H25F3N8
Molecular Weight554.58 g/mol
Exact Mass554.22
IUPAC Name5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin
SMILESCC1=c2ccc([nH]2)=C(c2nccn2C)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2nccn2C)c2ccc1[nH]2
InChIInChI=1S/C30H25F3N8/c1-16-17-4-6-19(36-17)25(28-34-12-14-40(28)2)21-8-10-23(38-21)27(30(31,32)33)24-11-9-22(39-24)26(20-7-5-18(16)37-20)29-35-13-15-41(29)3/h4-15,36-39H,1-3H3
InChIKeyRNUBKBQDHCPURY-UHFFFAOYSA-N
XLogP2.25
TPSA98.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.58
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Aeol-10150
CID 10373834
1-Methyl-2-[3-methyl-2-(3-methylimidazol-4-yl)imidazol-4-yl]-5-(1-methyl-5-phenylimidazol-2-yl)imidazole
CID 145969348
2'-butyl-1-(2-pyridin-2-ylethyl)-1H,1'H-2,4'-biimidazole
CID 56745840
2-butyl-3'-[2-(1-methylpyrrolidin-2-yl)ethyl]-5'-phenyl-1H,3'H-4,4'-biimidazole
CID 50955594
2-butyl-3'-[3-(1H-imidazol-1-yl)propyl]-5'-phenyl-1H,3'H-4,4'-biimidazole
CID 50955141
AEOL-10150 pentachloride
CID 42609702
5,10,15,20-Tetrakis(1,3-diethylimidazol-2-ylium-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 90713413
5,10-bis(1H-imidazol-2-yl)-21,22,23,24-tetrahydroporphyrin
CID 91447595
Bis(imidazolyl)porphyrin
CID 129655504
Tetra-imidazolyl porphyrin
CID 135536062
5,15-Bis(1-methylimidazol-2-yl)porphyrin
CID 135750035
3'-ethyl-3-[2-(1H-imidazol-4-yl)ethyl]-5-phenyl-3H,3'H-4,4'-biimidazole
CID 50977981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin (CID 123662207) is 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is CC1=c2ccc([nH]2)=C(c2nccn2C)c2ccc([nH]2)C(C(F)(F)F)=c2ccc([nH]2)=C(c2nccn2C)c2ccc1[nH]2.
What is the InChIKey of 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is RNUBKBQDHCPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N8/c1-16-17-4-6-19(36-17)25(28-34-12-14-40(28)2)21-8-10-23(38-21)27(30(31,32)33)24-11-9-22(39-24)26(20-7-5-18(16)37-20)29-35-13-15-41(29)3/h4-15,36-39H,1-3H3.
What are the key properties of 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin?
5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 554.58 g/mol, XLogP of 2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10,20-bis(1-methylimidazol-2-yl)-15-(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 123662207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).