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

C19H19FN4O — CID 46173035

IUPAC2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12
InChIInChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1
InChIKeyLGVIXHMVSRYWJL-HNNXBMFYSA-N
MW338.39 g/mol
LogP3.28
Rot. Bonds3

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

2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 46173035) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID46173035
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12
InChIInChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1
InChIKeyLGVIXHMVSRYWJL-HNNXBMFYSA-N
XLogP3.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide (CID 46173035) is 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCCCN4)cc3F)nc12.
What is the InChIKey of 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LGVIXHMVSRYWJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-10-11(15-5-1-2-9-22-15)7-8-12(14)19-23-16-6-3-4-13(18(21)25)17(16)24-19/h3-4,6-8,10,15,22H,1-2,5,9H2,(H2,21,25)(H,23,24)/t15-/m0/s1.
What are the key properties of 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(2S)-piperidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46173035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).