[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone

C22H25F2N3O — CID 119036911

IUPAC[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCCN2C(=O)C2CC2c2cc(F)ccc2F)nc2c1CCCC2
InChIInChI=1S/C22H25F2N3O/c1-26-19-6-3-2-5-18(19)25-21(26)20-7-4-10-27(20)22(28)16-12-14(16)15-11-13(23)8-9-17(15)24/h8-9,11,14,16,20H,2-7,10,12H2,1H3
InChIKeyJAKUBNJFPDQBMY-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.04
Rot. Bonds3

About [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone

[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 119036911) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID119036911
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCCN2C(=O)C2CC2c2cc(F)ccc2F)nc2c1CCCC2
InChIInChI=1S/C22H25F2N3O/c1-26-19-6-3-2-5-18(19)25-21(26)20-7-4-10-27(20)22(28)16-12-14(16)15-11-13(23)8-9-17(15)24/h8-9,11,14,16,20H,2-7,10,12H2,1H3
InChIKeyJAKUBNJFPDQBMY-UHFFFAOYSA-N
XLogP4.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide
CID 99799612
3-[4-fluoro-3-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 154835609
[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 100743034
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607198
[(1R,2R)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607197
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776393
[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-(2-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanone
CID 166282587
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 129477556
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 119036911) is [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone is Cn1c(C2CCCN2C(=O)C2CC2c2cc(F)ccc2F)nc2c1CCCC2.
What is the InChIKey of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JAKUBNJFPDQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-26-19-6-3-2-5-18(19)25-21(26)20-7-4-10-27(20)22(28)16-12-14(16)15-11-13(23)8-9-17(15)24/h8-9,11,14,16,20H,2-7,10,12H2,1H3.
What are the key properties of [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 385.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)cyclopropyl]-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119036911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).