[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

C18H18FN3O2 — CID 136526441

IUPAC[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)o1
InChIInChI=1S/C18H18FN3O2/c1-2-12-5-6-16(24-12)15-4-3-7-22(15)18(23)13-8-11(19)9-14-17(13)21-10-20-14/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21)
InChIKeyXHXOSDSGWSGPFV-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.83
Rot. Bonds3

About [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (PubChem CID 136526441) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
PubChem CID136526441
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)o1
InChIInChI=1S/C18H18FN3O2/c1-2-12-5-6-16(24-12)15-4-3-7-22(15)18(23)13-8-11(19)9-14-17(13)21-10-20-14/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21)
InChIKeyXHXOSDSGWSGPFV-UHFFFAOYSA-N
XLogP3.83
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 139002837
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 71892501
[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 120740593
(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95354406
(6-fluoro-1H-benzimidazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119394746
(6-fluoro-1H-benzimidazol-4-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 127956026
(6-fluoro-1H-benzimidazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119542588
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 164639845
(6-fluoro-1H-benzimidazol-4-yl)-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352241
3H-benzimidazol-5-yl-[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methanone
CID 95629049

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (CID 136526441) is [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is CCc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)o1.
What is the InChIKey of [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The InChIKey is XHXOSDSGWSGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-12-5-6-16(24-12)15-4-3-7-22(15)18(23)13-8-11(19)9-14-17(13)21-10-20-14/h5-6,8-10,15H,2-4,7H2,1H3,(H,20,21).
What are the key properties of [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone has a molecular weight of 327.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 136526441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).