5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide

C13H15FN4O — CID 141341800

IUPAC5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)ccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C13H15FN4O/c14-8-1-2-9-11(10(8)12(15)19)18-13(17-9)7-3-5-16-6-4-7/h1-2,7,16H,3-6H2,(H2,15,19)(H,17,18)
InChIKeyBHKPJWGYGCENGT-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.27
Rot. Bonds2

About 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide

5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide (PubChem CID 141341800) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
PubChem CID141341800
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1c(F)ccc2[nH]c(C3CCNCC3)nc12
InChIInChI=1S/C13H15FN4O/c14-8-1-2-9-11(10(8)12(15)19)18-13(17-9)7-3-5-16-6-4-7/h1-2,7,16H,3-6H2,(H2,15,19)(H,17,18)
InChIKeyBHKPJWGYGCENGT-UHFFFAOYSA-N
XLogP1.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide (CID 141341800) is 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide is NC(=O)c1c(F)ccc2[nH]c(C3CCNCC3)nc12.
What is the InChIKey of 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is BHKPJWGYGCENGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-8-1-2-9-11(10(8)12(15)19)18-13(17-9)7-3-5-16-6-4-7/h1-2,7,16H,3-6H2,(H2,15,19)(H,17,18).
What are the key properties of 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide?
5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141341800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).