(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H21FN4O — CID 129427532

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H21FN4O/c1-21-6-2-4-14(21)15-5-3-7-22(15)17(23)12-8-11(18)9-13-16(12)20-10-19-13/h8-10,14-15H,2-7H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyCCUKMEVPSDBNQW-LSDHHAIUSA-N
MW316.38 g/mol
LogP2.40
Rot. Bonds2

About (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129427532) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129427532
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H21FN4O/c1-21-6-2-4-14(21)15-5-3-7-22(15)17(23)12-8-11(18)9-13-16(12)20-10-19-13/h8-10,14-15H,2-7H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyCCUKMEVPSDBNQW-LSDHHAIUSA-N
XLogP2.40
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129427532) is (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CCUKMEVPSDBNQW-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21-6-2-4-14(21)15-5-3-7-22(15)17(23)12-8-11(18)9-13-16(12)20-10-19-13/h8-10,14-15H,2-7H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129427532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).