5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

C16H21FN4O — CID 155553076

IUPAC5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC(c2nc3c(C(N)=O)c(F)ccc3[nH]2)C1
InChIInChI=1S/C16H21FN4O/c1-9(2)21-7-3-4-10(8-21)16-19-12-6-5-11(17)13(15(18)22)14(12)20-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyDQOKTEXAWDTXAI-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.39
Rot. Bonds3

About 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide

5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 155553076) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID155553076
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC(c2nc3c(C(N)=O)c(F)ccc3[nH]2)C1
InChIInChI=1S/C16H21FN4O/c1-9(2)21-7-3-4-10(8-21)16-19-12-6-5-11(17)13(15(18)22)14(12)20-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,22)(H,19,20)
InChIKeyDQOKTEXAWDTXAI-UHFFFAOYSA-N
XLogP2.39
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 155553076) is 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCCC(c2nc3c(C(N)=O)c(F)ccc3[nH]2)C1.
What is the InChIKey of 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DQOKTEXAWDTXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-9(2)21-7-3-4-10(8-21)16-19-12-6-5-11(17)13(15(18)22)14(12)20-16/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,22)(H,19,20).
What are the key properties of 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).