1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole

C25H26N2 — CID 140866303

IUPAC1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
SMILESCC(C)c1cc2ccccc2c(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C25H26N2/c1-17(2)22-16-20-12-8-9-13-21(20)23(18(3)4)24(22)27-15-14-26-25(27)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyRMLALQLXVSURCT-UHFFFAOYSA-N
MW354.50 g/mol
LogP6.94
Rot. Bonds4

About 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole

1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole (PubChem CID 140866303) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
PubChem CID140866303
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC Name1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
SMILESCC(C)c1cc2ccccc2c(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C25H26N2/c1-17(2)22-16-20-12-8-9-13-21(20)23(18(3)4)24(22)27-15-14-26-25(27)19-10-6-5-7-11-19/h5-18H,1-4H3
InChIKeyRMLALQLXVSURCT-UHFFFAOYSA-N
XLogP6.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-(3-isoquinolin-1-ylphenyl)-phenylsilane
CID 158714839
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675
1-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-diphenylmethyl]phenyl]isoquinoline
CID 140593618

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole?
The IUPAC name of 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole (CID 140866303) is 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole.
What is the SMILES notation for 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole?
The canonical SMILES for 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole is CC(C)c1cc2ccccc2c(C(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole?
The InChIKey is RMLALQLXVSURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-17(2)22-16-20-12-8-9-13-21(20)23(18(3)4)24(22)27-15-14-26-25(27)19-10-6-5-7-11-19/h5-18H,1-4H3.
What are the key properties of 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole?
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole has a molecular weight of 354.50 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole is sourced from PubChem (CID 140866303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).