5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine

C12H15ClFN3O — CID 66078137

IUPAC5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCCOCC(C)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H15ClFN3O/c1-3-18-6-7(2)17-11-5-9(14)8(13)4-10(11)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyBLBLKYBNBCYOIC-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.01
Rot. Bonds4

About 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 66078137) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine
PubChem CID66078137
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCCOCC(C)n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C12H15ClFN3O/c1-3-18-6-7(2)17-11-5-9(14)8(13)4-10(11)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyBLBLKYBNBCYOIC-UHFFFAOYSA-N
XLogP3.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
CID 66076948
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
5-bromo-2-(1-chloroethyl)-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazole
CID 66087122
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)-4-methylpentanoate
CID 66078127
5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
5-chloro-1-(2-ethoxy-2-methylpropyl)-6-fluorobenzimidazol-2-amine
CID 114943244
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylpentan-2-yl)benzimidazole
CID 66111793
6-chloro-2-(2-chloroethyl)-1-(1-ethoxypropan-2-yl)benzimidazole
CID 115471350
ethyl 3-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66078519
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine (CID 66078137) is 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine is CCOCC(C)n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is BLBLKYBNBCYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c1-3-18-6-7(2)17-11-5-9(14)8(13)4-10(11)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16).
What are the key properties of 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 271.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-ethoxypropan-2-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66078137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).