1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide

C12H14FN5O — CID 103295287

IUPAC1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H14FN5O/c13-7-1-2-8-9(5-7)17-12(16-8)18-4-3-15-6-10(18)11(14)19/h1-2,5,10,15H,3-4,6H2,(H2,14,19)(H,16,17)
InChIKeyAKRDDWAYAJVGTA-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.03
Rot. Bonds2

About 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide

1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide (PubChem CID 103295287) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide
PubChem CID103295287
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H14FN5O/c13-7-1-2-8-9(5-7)17-12(16-8)18-4-3-15-6-10(18)11(14)19/h1-2,5,10,15H,3-4,6H2,(H2,14,19)(H,16,17)
InChIKeyAKRDDWAYAJVGTA-UHFFFAOYSA-N
XLogP-0.03
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide (CID 103295287) is 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide is NC(=O)C1CNCCN1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide?
The InChIKey is AKRDDWAYAJVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c13-7-1-2-8-9(5-7)17-12(16-8)18-4-3-15-6-10(18)11(14)19/h1-2,5,10,15H,3-4,6H2,(H2,14,19)(H,16,17).
What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide?
1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide has a molecular weight of 263.28 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-benzimidazol-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 103295287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).