2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide

C12H14F2N4O — CID 122704524

IUPAC2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCc1nc2c(F)c(F)cc(C(N)=O)c2[nH]1
InChIInChI=1S/C12H14F2N4O/c1-18(2)4-3-8-16-10-6(12(15)19)5-7(13)9(14)11(10)17-8/h5H,3-4H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyUWMURUBOSOQHGI-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide

2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide (PubChem CID 122704524) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide
PubChem CID122704524
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide
SMILESCN(C)CCc1nc2c(F)c(F)cc(C(N)=O)c2[nH]1
InChIInChI=1S/C12H14F2N4O/c1-18(2)4-3-8-16-10-6(12(15)19)5-7(13)9(14)11(10)17-8/h5H,3-4H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyUWMURUBOSOQHGI-UHFFFAOYSA-N
XLogP1.04
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide (CID 122704524) is 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide is CN(C)CCc1nc2c(F)c(F)cc(C(N)=O)c2[nH]1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide?
The InChIKey is UWMURUBOSOQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-18(2)4-3-8-16-10-6(12(15)19)5-7(13)9(14)11(10)17-8/h5H,3-4H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide?
2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6,7-difluoro-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122704524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).