5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide

C16H18ClFN4O — CID 10427158

IUPAC5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nc3cc(Cl)c(F)cc3[nH]1)C2
InChIInChI=1S/C16H18ClFN4O/c1-22-9-2-3-10(22)5-8(4-9)19-16(23)15-20-13-6-11(17)12(18)7-14(13)21-15/h6-10H,2-5H2,1H3,(H,19,23)(H,20,21)
InChIKeyQTSXNHKARRHQJZ-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide

5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 10427158) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide
PubChem CID10427158
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1nc3cc(Cl)c(F)cc3[nH]1)C2
InChIInChI=1S/C16H18ClFN4O/c1-22-9-2-3-10(22)5-8(4-9)19-16(23)15-20-13-6-11(17)12(18)7-14(13)21-15/h6-10H,2-5H2,1H3,(H,19,23)(H,20,21)
InChIKeyQTSXNHKARRHQJZ-UHFFFAOYSA-N
XLogP2.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-benzimidazole-4-carboxamide
CID 6949903
methyl 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate
CID 68615984
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267771
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663
4-amino-5-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pent-3-yn-2-yloxybenzamide
CID 5242401
4-amino-5-chloro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[(2R)-pent-3-yn-2-yl]oxybenzamide
CID 140516649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide (CID 10427158) is 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide is CN1C2CCC1CC(NC(=O)c1nc3cc(Cl)c(F)cc3[nH]1)C2.
What is the InChIKey of 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is QTSXNHKARRHQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-22-9-2-3-10(22)5-8(4-9)19-16(23)15-20-13-6-11(17)12(18)7-14(13)21-15/h6-10H,2-5H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide?
5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 10427158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).