2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole

C52H56N8 — CID 157216311

IUPAC2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(/C=C\c2cn(-c3c(C(C)C)cccc3C(C)C)c(-c3nccn3Cc3ccccc3)n2)nc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C52H56N8/c1-35(2)43-21-15-22-44(36(3)4)47(43)59-33-41(55-51(59)49-53-27-29-57(49)31-39-17-11-9-12-18-39)25-26-42-34-60(48-45(37(5)6)23-16-24-46(48)38(7)8)52(56-42)50-54-28-30-58(50)32-40-19-13-10-14-20-40/h9-30,33-38H,31-32H2,1-8H3/b26-25-
InChIKeyWWTMDHFQAYZAPM-QPLCGJKRSA-N
MW793.08 g/mol
LogP12.55
Rot. Bonds14

About 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole

2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 157216311) has the molecular formula C52H56N8 and a molecular weight of 793.08 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID157216311
Molecular FormulaC52H56N8
Molecular Weight793.08 g/mol
Exact Mass792.46
IUPAC Name2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1cc(/C=C\c2cn(-c3c(C(C)C)cccc3C(C)C)c(-c3nccn3Cc3ccccc3)n2)nc1-c1nccn1Cc1ccccc1
InChIInChI=1S/C52H56N8/c1-35(2)43-21-15-22-44(36(3)4)47(43)59-33-41(55-51(59)49-53-27-29-57(49)31-39-17-11-9-12-18-39)25-26-42-34-60(48-45(37(5)6)23-16-24-46(48)38(7)8)52(56-42)50-54-28-30-58(50)32-40-19-13-10-14-20-40/h9-30,33-38H,31-32H2,1-8H3/b26-25-
InChIKeyWWTMDHFQAYZAPM-QPLCGJKRSA-N
XLogP12.55
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.08
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole with MolForge

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Related Compounds

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
Bis(1-ethenyl-2-imidazolyl)-(9-ethyl-3-carbazolyl)-sulfanylidenephosphorane
CID 2999169
Disodium;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 71653456
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CID 90644541
1-(Cyclopentylmethyl)-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644542
1-Benzyl-2-[1-[3-(2-methylimidazol-1-yl)propyl]-5-phenyl-2-propan-2-ylpyrrol-3-yl]benzimidazole
CID 90644543
4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]benzimidazole
CID 127053316
1-[3-[3,5-bis[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]-5-[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 155532364
1-Methyl-2-[3-methyl-2-(3-methylimidazol-4-yl)imidazol-4-yl]-5-(1-methyl-5-phenylimidazol-2-yl)imidazole
CID 145969348
1-Benzyl-3-[4-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium
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CID 78198750

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole (CID 157216311) is 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole is CC(C)c1cccc(C(C)C)c1-n1cc(/C=C\c2cn(-c3c(C(C)C)cccc3C(C)C)c(-c3nccn3Cc3ccccc3)n2)nc1-c1nccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is WWTMDHFQAYZAPM-QPLCGJKRSA-N. The full InChI is InChI=1S/C52H56N8/c1-35(2)43-21-15-22-44(36(3)4)47(43)59-33-41(55-51(59)49-53-27-29-57(49)31-39-17-11-9-12-18-39)25-26-42-34-60(48-45(37(5)6)23-16-24-46(48)38(7)8)52(56-42)50-54-28-30-58(50)32-40-19-13-10-14-20-40/h9-30,33-38H,31-32H2,1-8H3/b26-25-.
What are the key properties of 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole?
2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 793.08 g/mol, XLogP of 12.55, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 157216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).