2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide

C13H16N4O — CID 25190721

IUPAC2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCCCN3)nc12
InChIInChI=1S/C13H16N4O/c14-12(18)8-4-3-6-9-11(8)17-13(16-9)10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7H2,(H2,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQRGBDUGNPYKQHW-JTQLQIEISA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds2

About 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190721) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190721
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCCCN3)nc12
InChIInChI=1S/C13H16N4O/c14-12(18)8-4-3-6-9-11(8)17-13(16-9)10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7H2,(H2,14,18)(H,16,17)/t10-/m0/s1
InChIKeyQRGBDUGNPYKQHW-JTQLQIEISA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 25190721) is 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c([C@@H]3CCCCN3)nc12.
What is the InChIKey of 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is QRGBDUGNPYKQHW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O/c14-12(18)8-4-3-6-9-11(8)17-13(16-9)10-5-1-2-7-15-10/h3-4,6,10,15H,1-2,5,7H2,(H2,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).