2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide

C14H17FN4O — CID 155535594

IUPAC2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@]1(C)c1nc2c(C(N)=O)c(F)ccc2[nH]1
InChIInChI=1S/C14H17FN4O/c1-14(6-3-7-19(14)2)13-17-9-5-4-8(15)10(12(16)20)11(9)18-13/h4-5H,3,6-7H2,1-2H3,(H2,16,20)(H,17,18)/t14-/m0/s1
InChIKeyAORRXLCITJJPQQ-AWEZNQCLSA-N
MW276.31 g/mol
LogP1.74
Rot. Bonds2

About 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide

2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide (PubChem CID 155535594) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
PubChem CID155535594
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
SMILESCN1CCC[C@@]1(C)c1nc2c(C(N)=O)c(F)ccc2[nH]1
InChIInChI=1S/C14H17FN4O/c1-14(6-3-7-19(14)2)13-17-9-5-4-8(15)10(12(16)20)11(9)18-13/h4-5H,3,6-7H2,1-2H3,(H2,16,20)(H,17,18)/t14-/m0/s1
InChIKeyAORRXLCITJJPQQ-AWEZNQCLSA-N
XLogP1.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide
CID 155530549
2-(2-methyl-1-propylpiperidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960920
5-fluoro-2-(1-propan-2-ylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 155553076
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
CID 155566808
6-chloro-2-[(2S)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
CID 11961097
[5-(3-chlorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]methanone
CID 118127208
5-fluoro-2-piperidin-4-yl-1H-benzimidazole-4-carboxamide
CID 141341800
2-(2-methyl-1-propan-2-ylazetidin-2-yl)-1H-benzimidazole-4-carboxamide
CID 11960736
[2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 118127256
[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[2-fluoro-3-methoxy-6-(4-methoxyphenyl)phenyl]methanone
CID 118128179
[(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118127867
[(2S)-2-(4,5-dimethyl-1H-benzimidazol-2-yl)-2-methylpyrrolidin-1-yl]-[2-(3-methylphenyl)phenyl]methanone
CID 72694685

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide (CID 155535594) is 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide is CN1CCC[C@@]1(C)c1nc2c(C(N)=O)c(F)ccc2[nH]1.
What is the InChIKey of 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
The InChIKey is AORRXLCITJJPQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-14(6-3-7-19(14)2)13-17-9-5-4-8(15)10(12(16)20)11(9)18-13/h4-5H,3,6-7H2,1-2H3,(H2,16,20)(H,17,18)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide?
2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,2-dimethylpyrrolidin-2-yl]-5-fluoro-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155535594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).