1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole

C50H38N8 — CID 147320639

IUPAC1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole
SMILESCn1cc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccc(-c4ccc(-c5ncc(-c6ccc(-c7cnc(-c8ccccc8)[nH]7)cc6)[nH]5)cc4)cc3)cn2C)c1
InChIInChI=1S/C50H38N8/c1-57-31-45(35-10-5-3-6-11-35)55-49(57)41-14-9-15-42(28-41)50-56-46(32-58(50)2)38-20-16-33(17-21-38)34-18-26-40(27-19-34)48-52-30-44(54-48)37-24-22-36(23-25-37)43-29-51-47(53-43)39-12-7-4-8-13-39/h3-32H,1-2H3,(H,51,53)(H,52,54)
InChIKeyCZSPORPGXRWWCN-UHFFFAOYSA-N
MW750.91 g/mol
LogP11.60
Rot. Bonds9

About 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole

1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole (PubChem CID 147320639) has the molecular formula C50H38N8 and a molecular weight of 750.91 g/mol. Its IUPAC name is 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole
PubChem CID147320639
Molecular FormulaC50H38N8
Molecular Weight750.91 g/mol
Exact Mass750.32
IUPAC Name1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole
SMILESCn1cc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccc(-c4ccc(-c5ncc(-c6ccc(-c7cnc(-c8ccccc8)[nH]7)cc6)[nH]5)cc4)cc3)cn2C)c1
InChIInChI=1S/C50H38N8/c1-57-31-45(35-10-5-3-6-11-35)55-49(57)41-14-9-15-42(28-41)50-56-46(32-58(50)2)38-20-16-33(17-21-38)34-18-26-40(27-19-34)48-52-30-44(54-48)37-24-22-36(23-25-37)43-29-51-47(53-43)39-12-7-4-8-13-39/h3-32H,1-2H3,(H,51,53)(H,52,54)
InChIKeyCZSPORPGXRWWCN-UHFFFAOYSA-N
XLogP11.60
TPSA93.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole with MolForge

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Related Compounds

(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 24737672
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 24897548
(2R)-2-(diethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 67145941
(2R)-2-[ethyl(methyl)amino]-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-[ethyl(methyl)amino]-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 67145956
N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]acetamide
CID 67146713
(2R)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 67146944
methyl N-[(2S)-1-[(2S)-2-[5-[4-[3-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70687816
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70694043
5-[2-[4-[[4-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]phenyl]-2H-tetrazole bromide
CID 71652853
Dipotassium;5-[2-[4-[[4-butyl-3-[[4-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]phenyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;bromide
CID 71653304
(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 76332556
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-bicyclo[2.2.2]octanyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155529069

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole?
The IUPAC name of 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole (CID 147320639) is 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole?
The canonical SMILES for 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole is Cn1cc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccc(-c4ccc(-c5ncc(-c6ccc(-c7cnc(-c8ccccc8)[nH]7)cc6)[nH]5)cc4)cc3)cn2C)c1.
What is the InChIKey of 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole?
The InChIKey is CZSPORPGXRWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N8/c1-57-31-45(35-10-5-3-6-11-35)55-49(57)41-14-9-15-42(28-41)50-56-46(32-58(50)2)38-20-16-33(17-21-38)34-18-26-40(27-19-34)48-52-30-44(54-48)37-24-22-36(23-25-37)43-29-51-47(53-43)39-12-7-4-8-13-39/h3-32H,1-2H3,(H,51,53)(H,52,54).
What are the key properties of 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole?
1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole has a molecular weight of 750.91 g/mol, XLogP of 11.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole is sourced from PubChem (CID 147320639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).