6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C13H15FN4O — CID 11961092

IUPAC6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1
InChIInChI=1S/C13H15FN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1
InChIKeyIULLGBUVNORARL-CYBMUJFWSA-N
MW262.29 g/mol
LogP1.40
Rot. Bonds2

About 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 11961092) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID11961092
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESC[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1
InChIInChI=1S/C13H15FN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1
InChIKeyIULLGBUVNORARL-CYBMUJFWSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25190749
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(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-3-nitrobenzamide
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N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 11961092) is 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is C[C@]1(c2nc3c(C(N)=O)cc(F)cc3[nH]2)CCCN1.
What is the InChIKey of 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is IULLGBUVNORARL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-13(3-2-4-16-13)12-17-9-6-7(14)5-8(11(15)19)10(9)18-12/h5-6,16H,2-4H2,1H3,(H2,15,19)(H,17,18)/t13-/m1/s1.
What are the key properties of 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11961092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).