1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole

C26H27FN2 — CID 170293664

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-c1nc2ccccc2n1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H27FN2/c1-16(2)20-9-8-10-21(17(3)4)25(20)29-24-12-7-6-11-23(24)28-26(29)22-14-13-19(27)15-18(22)5/h6-17H,1-5H3
InChIKeyRRWUKUJWHNYNAY-UHFFFAOYSA-N
MW386.51 g/mol
LogP7.39
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole (PubChem CID 170293664) has the molecular formula C26H27FN2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
PubChem CID170293664
Molecular FormulaC26H27FN2
Molecular Weight386.51 g/mol
Exact Mass386.22
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
SMILESCc1cc(F)ccc1-c1nc2ccccc2n1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H27FN2/c1-16(2)20-9-8-10-21(17(3)4)25(20)29-24-12-7-6-11-23(24)28-26(29)22-14-13-19(27)15-18(22)5/h6-17H,1-5H3
InChIKeyRRWUKUJWHNYNAY-UHFFFAOYSA-N
XLogP7.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)-3-methylbenzimidazol-3-ium
CID 169026337
2-(7-fluoro-1-methyldibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170316047
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-9-phenyldibenzothiophen-4-yl)benzimidazole
CID 170931421
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)benzimidazole;iridium
CID 170931356
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
1-[2,6-di(propan-2-yl)phenyl]-2-[1-(trideuteriomethyl)naphtho[2,3-b][1]benzothiol-4-yl]benzimidazole
CID 176814811
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
CID 170293570
1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
CID 156658589
2-(1-tert-butyl-7-fluorodibenzofuran-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176724376
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole (CID 170293664) is 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole is Cc1cc(F)ccc1-c1nc2ccccc2n1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole?
The InChIKey is RRWUKUJWHNYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2/c1-16(2)20-9-8-10-21(17(3)4)25(20)29-24-12-7-6-11-23(24)28-26(29)22-14-13-19(27)15-18(22)5/h6-17H,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole has a molecular weight of 386.51 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole is sourced from PubChem (CID 170293664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).