4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole

C35H52N4 — CID 71072176

IUPAC4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C2=CN(C(C)C)CN2C(C)C)C1
InChIInChI=1S/C35H52N4/c1-23(2)29-14-12-15-30(24(3)4)34(29)36-18-19-37(21-36)35-31(25(5)6)16-13-17-32(35)28(11)33-20-38(26(7)8)22-39(33)27(9)10/h12-20,23-28H,21-22H2,1-11H3
InChIKeyLZXAYAYURNFOIO-UHFFFAOYSA-N
MW528.83 g/mol
LogP9.15
Rot. Bonds9

About 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole

4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 71072176) has the molecular formula C35H52N4 and a molecular weight of 528.83 g/mol. Its IUPAC name is 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole
PubChem CID71072176
Molecular FormulaC35H52N4
Molecular Weight528.83 g/mol
Exact Mass528.42
IUPAC Name4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C2=CN(C(C)C)CN2C(C)C)C1
InChIInChI=1S/C35H52N4/c1-23(2)29-14-12-15-30(24(3)4)34(29)36-18-19-37(21-36)35-31(25(5)6)16-13-17-32(35)28(11)33-20-38(26(7)8)22-39(33)27(9)10/h12-20,23-28H,21-22H2,1-11H3
InChIKeyLZXAYAYURNFOIO-UHFFFAOYSA-N
XLogP9.15
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.83
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole (CID 71072176) is 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C2=CN(C(C)C)CN2C(C)C)C1.
What is the InChIKey of 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is LZXAYAYURNFOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N4/c1-23(2)29-14-12-15-30(24(3)4)34(29)36-18-19-37(21-36)35-31(25(5)6)16-13-17-32(35)28(11)33-20-38(26(7)8)22-39(33)27(9)10/h12-20,23-28H,21-22H2,1-11H3.
What are the key properties of 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole?
4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 528.83 g/mol, XLogP of 9.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]-3-propan-2-ylphenyl]ethyl]-1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 71072176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).