methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C18H22F2N4O3 — CID 123862162

IUPACmethyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CC(F)(F)CC1C1N=C(c2ccccc2)CN1C
InChIInChI=1S/C18H22F2N4O3/c1-23-10-13(12-6-4-3-5-7-12)22-16(23)14-8-18(19,20)11-24(14)15(25)9-21-17(26)27-2/h3-7,14,16H,8-11H2,1-2H3,(H,21,26)
InChIKeyHKNBAZJACKLVJT-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.34
Rot. Bonds4

About methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 123862162) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID123862162
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Namemethyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CC(F)(F)CC1C1N=C(c2ccccc2)CN1C
InChIInChI=1S/C18H22F2N4O3/c1-23-10-13(12-6-4-3-5-7-12)22-16(23)14-8-18(19,20)11-24(14)15(25)9-21-17(26)27-2/h3-7,14,16H,8-11H2,1-2H3,(H,21,26)
InChIKeyHKNBAZJACKLVJT-UHFFFAOYSA-N
XLogP1.34
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 4901899
2,2,2-trifluoroethyl N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 56786807
2,2,2-trifluoroethyl N-[2-[(2S)-2-benzylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95620983
2,2,2-trifluoroethyl N-[2-[(2R)-2-benzylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95620984
tert-butyl 2-[4-(3-methylphenyl)-2,5-dihydro-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 90715149
methyl N-[3-methyl-1-oxo-1-[2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,5-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 123423143

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 123862162) is methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CC(F)(F)CC1C1N=C(c2ccccc2)CN1C.
What is the InChIKey of methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is HKNBAZJACKLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c1-23-10-13(12-6-4-3-5-7-12)22-16(23)14-8-18(19,20)11-24(14)15(25)9-21-17(26)27-2/h3-7,14,16H,8-11H2,1-2H3,(H,21,26).
What are the key properties of methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 380.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4,4-difluoro-2-(3-methyl-5-phenyl-2,4-dihydroimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 123862162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).