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

C14H13ClFN3S — CID 66076960

IUPAC5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(Cl)c(F)cc32)s1
InChIInChI=1S/C14H13ClFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeyBJLIHMIKUCOXQH-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.39
Rot. Bonds2

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

5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 66076960) has the molecular formula C14H13ClFN3S and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
PubChem CID66076960
Molecular FormulaC14H13ClFN3S
Molecular Weight309.80 g/mol
Exact Mass309.05
IUPAC Name5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(Cl)c(F)cc32)s1
InChIInChI=1S/C14H13ClFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeyBJLIHMIKUCOXQH-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
CID 66076948
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477689
5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66078137
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
CID 62532578
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62595651
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)-4-methylpentanoate
CID 66078127
3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301830

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine (CID 66076960) is 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine is Cc1ccc(C(C)n2c(N)nc3cc(Cl)c(F)cc32)s1.
What is the InChIKey of 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is BJLIHMIKUCOXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 309.80 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66076960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).