6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide

C14H13FN4OS — CID 141466199

IUPAC6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCNCc1ccc(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)s1
InChIInChI=1S/C14H13FN4OS/c1-17-6-8-2-3-11(21-8)14-18-10-5-7(15)4-9(13(16)20)12(10)19-14/h2-5,17H,6H2,1H3,(H2,16,20)(H,18,19)
InChIKeyNBVFKEHFDGGDFT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.25
Rot. Bonds4

About 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide

6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 141466199) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID141466199
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCNCc1ccc(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)s1
InChIInChI=1S/C14H13FN4OS/c1-17-6-8-2-3-11(21-8)14-18-10-5-7(15)4-9(13(16)20)12(10)19-14/h2-5,17H,6H2,1H3,(H2,16,20)(H,18,19)
InChIKeyNBVFKEHFDGGDFT-UHFFFAOYSA-N
XLogP2.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide (CID 141466199) is 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide is CNCc1ccc(-c2nc3c(C(N)=O)cc(F)cc3[nH]2)s1.
What is the InChIKey of 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NBVFKEHFDGGDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-17-6-8-2-3-11(21-8)14-18-10-5-7(15)4-9(13(16)20)12(10)19-14/h2-5,17H,6H2,1H3,(H2,16,20)(H,18,19).
What are the key properties of 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[5-(methylaminomethyl)thiophen-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141466199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).