(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

C20H19BrFN3O — CID 60620906

IUPAC(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c(C2CCCN2C(=O)c2ccc(Br)c(F)c2)nc2ccccc21
InChIInChI=1S/C20H19BrFN3O/c1-2-24-17-7-4-3-6-16(17)23-19(24)18-8-5-11-25(18)20(26)13-9-10-14(21)15(22)12-13/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3
InChIKeyKKAIWWPOOWZQBC-UHFFFAOYSA-N
MW416.29 g/mol
LogP4.94
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 60620906) has the molecular formula C20H19BrFN3O and a molecular weight of 416.29 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID60620906
Molecular FormulaC20H19BrFN3O
Molecular Weight416.29 g/mol
Exact Mass415.07
IUPAC Name(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCn1c(C2CCCN2C(=O)c2ccc(Br)c(F)c2)nc2ccccc21
InChIInChI=1S/C20H19BrFN3O/c1-2-24-17-7-4-3-6-16(17)23-19(24)18-8-5-11-25(18)20(26)13-9-10-14(21)15(22)12-13/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3
InChIKeyKKAIWWPOOWZQBC-UHFFFAOYSA-N
XLogP4.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 95278101
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
3-(4-bromo-2-fluorophenyl)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 60621240
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 124592970
[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 52851870
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644
2-(cyclopropylmethylamino)-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119872625
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 120799598
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 60620906) is (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is CCn1c(C2CCCN2C(=O)c2ccc(Br)c(F)c2)nc2ccccc21.
What is the InChIKey of (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is KKAIWWPOOWZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFN3O/c1-2-24-17-7-4-3-6-16(17)23-19(24)18-8-5-11-25(18)20(26)13-9-10-14(21)15(22)12-13/h3-4,6-7,9-10,12,18H,2,5,8,11H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
(4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 416.29 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 60620906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).