2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile

C24H19F2N3 — CID 67310929

IUPAC2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2c(F)cccc2C#N)c1
InChIInChI=1S/C24H19F2N3/c1-24(2,3)16-7-10-22-21(11-16)28-14-29(22)17-8-9-19(25)18(12-17)23-15(13-27)5-4-6-20(23)26/h4-12,14H,1-3H3
InChIKeyLIGQTMMAUJLNLS-UHFFFAOYSA-N
MW387.43 g/mol
LogP6.14
Rot. Bonds2

About 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile

2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile (PubChem CID 67310929) has the molecular formula C24H19F2N3 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile
PubChem CID67310929
Molecular FormulaC24H19F2N3
Molecular Weight387.43 g/mol
Exact Mass387.15
IUPAC Name2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile
SMILESCC(C)(C)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2c(F)cccc2C#N)c1
InChIInChI=1S/C24H19F2N3/c1-24(2,3)16-7-10-22-21(11-16)28-14-29(22)17-8-9-19(25)18(12-17)23-15(13-27)5-4-6-20(23)26/h4-12,14H,1-3H3
InChIKeyLIGQTMMAUJLNLS-UHFFFAOYSA-N
XLogP6.14
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile?
The IUPAC name of 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile (CID 67310929) is 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile.
What is the SMILES notation for 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile?
The canonical SMILES for 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile is CC(C)(C)c1ccc2c(c1)ncn2-c1ccc(F)c(-c2c(F)cccc2C#N)c1.
What is the InChIKey of 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile?
The InChIKey is LIGQTMMAUJLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3/c1-24(2,3)16-7-10-22-21(11-16)28-14-29(22)17-8-9-19(25)18(12-17)23-15(13-27)5-4-6-20(23)26/h4-12,14H,1-3H3.
What are the key properties of 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile?
2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile has a molecular weight of 387.43 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-tert-butylbenzimidazol-1-yl)-2-fluorophenyl]-3-fluorobenzonitrile is sourced from PubChem (CID 67310929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).