cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C25H25Cl2N3O — CID 56943711

IUPACcyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1CC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H25Cl2N3O/c1-16-13-28-24(30(16)15-17-10-11-29(14-17)25(31)20-6-7-20)19-4-2-18(3-5-19)22-9-8-21(26)12-23(22)27/h2-5,8-9,12-13,17,20H,6-7,10-11,14-15H2,1H3
InChIKeyIWQGTQZMTXCYAR-UHFFFAOYSA-N
MW454.40 g/mol
LogP6.09
Rot. Bonds5

About cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 56943711) has the molecular formula C25H25Cl2N3O and a molecular weight of 454.40 g/mol. Its IUPAC name is cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID56943711
Molecular FormulaC25H25Cl2N3O
Molecular Weight454.40 g/mol
Exact Mass453.14
IUPAC Namecyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1CC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C25H25Cl2N3O/c1-16-13-28-24(30(16)15-17-10-11-29(14-17)25(31)20-6-7-20)19-4-2-18(3-5-19)22-9-8-21(26)12-23(22)27/h2-5,8-9,12-13,17,20H,6-7,10-11,14-15H2,1H3
InChIKeyIWQGTQZMTXCYAR-UHFFFAOYSA-N
XLogP6.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[(3R)-3-[[2-[4-(2,4-dichlorophenyl)phenyl]imidazo[4,5-b]pyridin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 71007960
[(3S)-3-[[6-chloro-8-[4-(2,4-dichlorophenyl)phenyl]purin-9-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 89183434
cyclopropyl-[3-[[2-[4-(4-fluorophenyl)-2-methylphenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66804039
2-[4-(2-chloro-4-methoxyphenyl)phenyl]-3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]quinazolin-4-one
CID 57415407
3-[4-(3-chlorophenyl)phenyl]-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 66806768
[(3R)-3-[[2-(4-bromophenyl)-6-chloroimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 123986704
[(3R)-3-[[5-[4-(2-chloro-4-methoxyphenyl)phenyl]triazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 56944676
[(3R)-3-[[2-(4-bromophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 123440872
cyclopropyl-[(3S)-3-[[3-[4-(4-methylphenyl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944098
5-(4-bromophenyl)-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 86689386
cyclopropyl-[(3S)-3-[[6-fluoro-2-[4-(4-fluorophenyl)phenyl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 66579825
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(4-methoxyphenyl)phenyl]-6-methylpyrimidin-4-one
CID 57415528

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 56943711) is cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is Cc1cnc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n1CC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is IWQGTQZMTXCYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O/c1-16-13-28-24(30(16)15-17-10-11-29(14-17)25(31)20-6-7-20)19-4-2-18(3-5-19)22-9-8-21(26)12-23(22)27/h2-5,8-9,12-13,17,20H,6-7,10-11,14-15H2,1H3.
What are the key properties of cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone?
cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 454.40 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[[2-[4-(2,4-dichlorophenyl)phenyl]-5-methylimidazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56943711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).