5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

C13H13ClFN5 — CID 103008434

IUPAC5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H13ClFN5/c1-19-8(2-4-17-19)3-5-20-12-7-10(15)9(14)6-11(12)18-13(20)16/h2,4,6-7H,3,5H2,1H3,(H2,16,18)
InChIKeyFZMRJUJNRCIUHY-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.39
Rot. Bonds3

About 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine

5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 103008434) has the molecular formula C13H13ClFN5 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID103008434
Molecular FormulaC13H13ClFN5
Molecular Weight293.73 g/mol
Exact Mass293.08
IUPAC Name5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCn1nccc1CCn1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C13H13ClFN5/c1-19-8(2-4-17-19)3-5-20-12-7-10(15)9(14)6-11(12)18-13(20)16/h2,4,6-7H,3,5H2,1H3,(H2,16,18)
InChIKeyFZMRJUJNRCIUHY-UHFFFAOYSA-N
XLogP2.39
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]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

Related Compounds

5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008445
4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008397
6-chloro-5-fluoro-3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 103008272
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958
5-chloro-6-fluoro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520923
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 114186520
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine (CID 103008434) is 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is Cn1nccc1CCn1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is FZMRJUJNRCIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5/c1-19-8(2-4-17-19)3-5-20-12-7-10(15)9(14)6-11(12)18-13(20)16/h2,4,6-7H,3,5H2,1H3,(H2,16,18).
What are the key properties of 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine?
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 293.73 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 103008434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).