N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine

C13H11ClFN3S — CID 106048867

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCc3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C13H11ClFN3S/c14-12-4-2-9(19-12)5-6-16-13-17-10-3-1-8(15)7-11(10)18-13/h1-4,7H,5-6H2,(H2,16,17,18)
InChIKeyHGDLSUGJMWQIMM-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 106048867) has the molecular formula C13H11ClFN3S and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
PubChem CID106048867
Molecular FormulaC13H11ClFN3S
Molecular Weight295.77 g/mol
Exact Mass295.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCc3ccc(Cl)s3)[nH]c2c1
InChIInChI=1S/C13H11ClFN3S/c14-12-4-2-9(19-12)5-6-16-13-17-10-3-1-8(15)7-11(10)18-13/h1-4,7H,5-6H2,(H2,16,17,18)
InChIKeyHGDLSUGJMWQIMM-UHFFFAOYSA-N
XLogP4.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-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-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine (CID 106048867) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine is Fc1ccc2nc(NCCc3ccc(Cl)s3)[nH]c2c1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is HGDLSUGJMWQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3S/c14-12-4-2-9(19-12)5-6-16-13-17-10-3-1-8(15)7-11(10)18-13/h1-4,7H,5-6H2,(H2,16,17,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 295.77 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 106048867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).