1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine

C13H10ClF2N3S — CID 62532578

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
SMILESCC(c1ccc(Cl)s1)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H10ClF2N3S/c1-6(9-4-5-10(14)20-9)19-12-8(18-13(19)17)3-2-7(15)11(12)16/h2-6H,1H3,(H2,17,18)
InChIKeyGZRHKCAFXCJIKF-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.22
Rot. Bonds2

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine

1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine (PubChem CID 62532578) has the molecular formula C13H10ClF2N3S and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
PubChem CID62532578
Molecular FormulaC13H10ClF2N3S
Molecular Weight313.76 g/mol
Exact Mass313.03
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
SMILESCC(c1ccc(Cl)s1)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H10ClF2N3S/c1-6(9-4-5-10(14)20-9)19-12-8(18-13(19)17)3-2-7(15)11(12)16/h2-6H,1H3,(H2,17,18)
InChIKeyGZRHKCAFXCJIKF-UHFFFAOYSA-N
XLogP4.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine (CID 62532578) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine is CC(c1ccc(Cl)s1)n1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine?
The InChIKey is GZRHKCAFXCJIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N3S/c1-6(9-4-5-10(14)20-9)19-12-8(18-13(19)17)3-2-7(15)11(12)16/h2-6H,1H3,(H2,17,18).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine has a molecular weight of 313.76 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 62532578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).