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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Related Compounds

5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
CID 141341800
2-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 18428049
2-(1-acetylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428036
2-(1-propan-2-ylpiperidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 117166908
2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
CID 155535594
(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 95315033
2-(1-acetylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 18428045
2-[(3S)-1-acetylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137901
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
CID 155566808
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508

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).