6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

C11H9FN4S — CID 63825683

IUPAC6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1Cc1cscn1
InChIInChI=1S/C11H9FN4S/c12-7-1-2-9-10(3-7)16(11(13)15-9)4-8-5-17-6-14-8/h1-3,5-6H,4H2,(H2,13,15)
InChIKeyMBCMQPLOMDAWLL-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.26
Rot. Bonds2

About 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine

6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 63825683) has the molecular formula C11H9FN4S and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
PubChem CID63825683
Molecular FormulaC11H9FN4S
Molecular Weight248.29 g/mol
Exact Mass248.05
IUPAC Name6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1Cc1cscn1
InChIInChI=1S/C11H9FN4S/c12-7-1-2-9-10(3-7)16(11(13)15-9)4-8-5-17-6-14-8/h1-3,5-6H,4H2,(H2,13,15)
InChIKeyMBCMQPLOMDAWLL-UHFFFAOYSA-N
XLogP2.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine (CID 63825683) is 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is Nc1nc2ccc(F)cc2n1Cc1cscn1.
What is the InChIKey of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is MBCMQPLOMDAWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4S/c12-7-1-2-9-10(3-7)16(11(13)15-9)4-8-5-17-6-14-8/h1-3,5-6H,4H2,(H2,13,15).
What are the key properties of 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine?
6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 248.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 63825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).