[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

C20H20FN3O3 — CID 71892501

IUPAC[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)c(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-26-13-5-6-14(18(10-13)27-2)17-4-3-7-24(17)20(25)15-8-12(21)9-16-19(15)23-11-22-16/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyKKKPPRHWSNVXPD-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.70
Rot. Bonds4

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

[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (PubChem CID 71892501) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
PubChem CID71892501
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)c(OC)c1
InChIInChI=1S/C20H20FN3O3/c1-26-13-5-6-14(18(10-13)27-2)17-4-3-7-24(17)20(25)15-8-12(21)9-16-19(15)23-11-22-16/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyKKKPPRHWSNVXPD-UHFFFAOYSA-N
XLogP3.70
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27034302
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56796336
3H-benzimidazol-5-yl-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 29364445
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 51923923
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
(5-bromothiophen-2-yl)-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 51550650
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 46514691
3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 46587886

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (CID 71892501) is [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is COc1ccc(C2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The InChIKey is KKKPPRHWSNVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-26-13-5-6-14(18(10-13)27-2)17-4-3-7-24(17)20(25)15-8-12(21)9-16-19(15)23-11-22-16/h5-6,8-11,17H,3-4,7H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone has a molecular weight of 369.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 71892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).