N-(4-fluorophenyl)-1H-benzimidazol-2-amine

C13H10FN3 — CID 923845

IUPACN-(4-fluorophenyl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10FN3/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H2,15,16,17)
InChIKeyJCPBVJDSLDBKSJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.45
Rot. Bonds2

About N-(4-fluorophenyl)-1H-benzimidazol-2-amine

N-(4-fluorophenyl)-1H-benzimidazol-2-amine (PubChem CID 923845) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1H-benzimidazol-2-amine
PubChem CID923845
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC NameN-(4-fluorophenyl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C13H10FN3/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H2,15,16,17)
InChIKeyJCPBVJDSLDBKSJ-UHFFFAOYSA-N
XLogP3.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-fluorophenyl)-1H-benzimidazol-2-amine 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-(4-fluorophenyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-1H-benzimidazol-2-amine (CID 923845) is N-(4-fluorophenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-1H-benzimidazol-2-amine is Fc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1H-benzimidazol-2-amine?
The InChIKey is JCPBVJDSLDBKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,(H2,15,16,17).
What are the key properties of N-(4-fluorophenyl)-1H-benzimidazol-2-amine?
N-(4-fluorophenyl)-1H-benzimidazol-2-amine has a molecular weight of 227.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 923845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).