N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide

C18H17ClFN3O — CID 47080720

IUPACN-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)n1c(NC(=O)c2ccc(Cl)cc2F)nc2ccccc21
InChIInChI=1S/C18H17ClFN3O/c1-18(2,3)23-15-7-5-4-6-14(15)21-17(23)22-16(24)12-9-8-11(19)10-13(12)20/h4-10H,1-3H3,(H,21,22,24)
InChIKeyUGNCEMBWBPCALC-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.84
Rot. Bonds2

About N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide

N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide (PubChem CID 47080720) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
PubChem CID47080720
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC NameN-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)n1c(NC(=O)c2ccc(Cl)cc2F)nc2ccccc21
InChIInChI=1S/C18H17ClFN3O/c1-18(2,3)23-15-7-5-4-6-14(15)21-17(23)22-16(24)12-9-8-11(19)10-13(12)20/h4-10H,1-3H3,(H,21,22,24)
InChIKeyUGNCEMBWBPCALC-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide 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 N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide (CID 47080720) is N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide is CC(C)(C)n1c(NC(=O)c2ccc(Cl)cc2F)nc2ccccc21.
What is the InChIKey of N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide?
The InChIKey is UGNCEMBWBPCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-18(2,3)23-15-7-5-4-6-14(15)21-17(23)22-16(24)12-9-8-11(19)10-13(12)20/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide?
N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide has a molecular weight of 345.81 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 47080720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).