N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

C16H11FN4S — CID 82563238

IUPACN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21)
InChIKeyHKWOVPXRYZXZHR-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.57
Rot. Bonds3

About N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine

N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (PubChem CID 82563238) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
PubChem CID82563238
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC NameN-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1
InChIInChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21)
InChIKeyHKWOVPXRYZXZHR-UHFFFAOYSA-N
XLogP4.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine (CID 82563238) is N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is Fc1ccc(Nc2nc3ccc(-c4nccs4)cc3[nH]2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is HKWOVPXRYZXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-11-2-4-12(5-3-11)19-16-20-13-6-1-10(9-14(13)21-16)15-18-7-8-22-15/h1-9H,(H2,19,20,21).
What are the key properties of N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine?
N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 82563238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).