(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine

C12H9F2N3S — CID 115284668

IUPAC(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1nc2c(F)cc(F)cc2[nH]1)c1cccs1
InChIInChI=1S/C12H9F2N3S/c13-6-4-7(14)11-8(5-6)16-12(17-11)10(15)9-2-1-3-18-9/h1-5,10H,15H2,(H,16,17)
InChIKeyXVELRVSSQFFSQD-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.95
Rot. Bonds2

About (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine

(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine (PubChem CID 115284668) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
PubChem CID115284668
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
SMILESNC(c1nc2c(F)cc(F)cc2[nH]1)c1cccs1
InChIInChI=1S/C12H9F2N3S/c13-6-4-7(14)11-8(5-6)16-12(17-11)10(15)9-2-1-3-18-9/h1-5,10H,15H2,(H,16,17)
InChIKeyXVELRVSSQFFSQD-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[chloro(phenyl)methyl]-4,6-difluoro-1H-benzimidazole
CID 81449800
(4-methylsulfonyl-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine
CID 82008010
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565
2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 81463096
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
CID 81449342
8-[amino(thiophen-2-yl)methyl]-7H-purin-6-amine
CID 114607939
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-thiophen-2-ylmethanamine
CID 115284923
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
2-(2-bromo-6-fluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 114560127
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140

Frequently Asked Questions

What is the IUPAC name of (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine (CID 115284668) is (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine is NC(c1nc2c(F)cc(F)cc2[nH]1)c1cccs1.
What is the InChIKey of (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is XVELRVSSQFFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c13-6-4-7(14)11-8(5-6)16-12(17-11)10(15)9-2-1-3-18-9/h1-5,10H,15H2,(H,16,17).
What are the key properties of (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine?
(4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine has a molecular weight of 265.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-difluoro-1H-benzimidazol-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 115284668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).