3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile

C26H25N3 — CID 169301226

IUPAC3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C26H25N3/c1-17(2)21-11-8-12-22(18(3)4)25(21)29-24-14-6-5-13-23(24)28-26(29)20-10-7-9-19(15-20)16-27/h5-15,17-18H,1-4H3
InChIKeyBDRSRNWEWFOOMA-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.81
Rot. Bonds4

About 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile

3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile (PubChem CID 169301226) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
PubChem CID169301226
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc(C#N)c2)nc2ccccc21
InChIInChI=1S/C26H25N3/c1-17(2)21-11-8-12-22(18(3)4)25(21)29-24-14-6-5-13-23(24)28-26(29)20-10-7-9-19(15-20)16-27/h5-15,17-18H,1-4H3
InChIKeyBDRSRNWEWFOOMA-UHFFFAOYSA-N
XLogP6.81
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzothiophene-2-carbonitrile
CID 158365026
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
3-[1-[7-[6-(4-methylphenyl)naphthalen-2-yl]naphthalen-2-yl]benzimidazol-2-yl]benzonitrile
CID 142488055
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
4-[8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051864
1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
CID 156658589
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 158295187
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]benzimidazole
CID 140593656
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile (CID 169301226) is 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc(C#N)c2)nc2ccccc21.
What is the InChIKey of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile?
The InChIKey is BDRSRNWEWFOOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-17(2)21-11-8-12-22(18(3)4)25(21)29-24-14-6-5-13-23(24)28-26(29)20-10-7-9-19(15-20)16-27/h5-15,17-18H,1-4H3.
What are the key properties of 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile?
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile has a molecular weight of 379.51 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile is sourced from PubChem (CID 169301226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).