1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole

C30H30N4O2 — CID 118529894

IUPAC1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
SMILESCCn1cc(-c2ccc(OC)cc2)nc1-c1cccc(-c2nc(-c3ccc(OC)cc3)cn2CC)c1
InChIInChI=1S/C30H30N4O2/c1-5-33-19-27(21-10-14-25(35-3)15-11-21)31-29(33)23-8-7-9-24(18-23)30-32-28(20-34(30)6-2)22-12-16-26(36-4)17-13-22/h7-20H,5-6H2,1-4H3
InChIKeyVCNLSZDVPOIEHE-UHFFFAOYSA-N
MW478.60 g/mol
LogP6.80
Rot. Bonds8

About 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole

1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole (PubChem CID 118529894) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
PubChem CID118529894
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
SMILESCCn1cc(-c2ccc(OC)cc2)nc1-c1cccc(-c2nc(-c3ccc(OC)cc3)cn2CC)c1
InChIInChI=1S/C30H30N4O2/c1-5-33-19-27(21-10-14-25(35-3)15-11-21)31-29(33)23-8-7-9-24(18-23)30-32-28(20-34(30)6-2)22-12-16-26(36-4)17-13-22/h7-20H,5-6H2,1-4H3
InChIKeyVCNLSZDVPOIEHE-UHFFFAOYSA-N
XLogP6.80
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole?
The IUPAC name of 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole (CID 118529894) is 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole.
What is the SMILES notation for 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole?
The canonical SMILES for 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole is CCn1cc(-c2ccc(OC)cc2)nc1-c1cccc(-c2nc(-c3ccc(OC)cc3)cn2CC)c1.
What is the InChIKey of 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole?
The InChIKey is VCNLSZDVPOIEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-5-33-19-27(21-10-14-25(35-3)15-11-21)31-29(33)23-8-7-9-24(18-23)30-32-28(20-34(30)6-2)22-12-16-26(36-4)17-13-22/h7-20H,5-6H2,1-4H3.
What are the key properties of 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole?
1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole has a molecular weight of 478.60 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole is sourced from PubChem (CID 118529894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).