4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline

C15H12ClF2N3 — CID 62564267

IUPAC4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
SMILESFc1cc2ncn(CCNc3ccc(Cl)cc3)c2cc1F
InChIInChI=1S/C15H12ClF2N3/c16-10-1-3-11(4-2-10)19-5-6-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-4,7-9,19H,5-6H2
InChIKeyMLNLQUPSTWKSRB-UHFFFAOYSA-N
MW307.73 g/mol
LogP4.08
Rot. Bonds4

About 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline

4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline (PubChem CID 62564267) has the molecular formula C15H12ClF2N3 and a molecular weight of 307.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
PubChem CID62564267
Molecular FormulaC15H12ClF2N3
Molecular Weight307.73 g/mol
Exact Mass307.07
IUPAC Name4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline
SMILESFc1cc2ncn(CCNc3ccc(Cl)cc3)c2cc1F
InChIInChI=1S/C15H12ClF2N3/c16-10-1-3-11(4-2-10)19-5-6-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-4,7-9,19H,5-6H2
InChIKeyMLNLQUPSTWKSRB-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline 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 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline (CID 62564267) is 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline is Fc1cc2ncn(CCNc3ccc(Cl)cc3)c2cc1F.
What is the InChIKey of 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
The InChIKey is MLNLQUPSTWKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3/c16-10-1-3-11(4-2-10)19-5-6-21-9-20-14-7-12(17)13(18)8-15(14)21/h1-4,7-9,19H,5-6H2.
What are the key properties of 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline?
4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline has a molecular weight of 307.73 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(5,6-difluorobenzimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 62564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).