ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate

C20H25F3N4O3 — CID 4901899

IUPACethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C20H25F3N4O3/c1-3-26-12-8-11-15(26)13-27-16(14-9-6-5-7-10-14)24-19(17(27)28,20(21,22)23)25-18(29)30-4-2/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,25,29)
InChIKeyUCXNFLAKCJNXKO-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.76
Rot. Bonds6

About ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate

ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (PubChem CID 4901899) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
PubChem CID4901899
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Nameethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
SMILESCCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCN2CC)C1=O
InChIInChI=1S/C20H25F3N4O3/c1-3-26-12-8-11-15(26)13-27-16(14-9-6-5-7-10-14)24-19(17(27)28,20(21,22)23)25-18(29)30-4-2/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,25,29)
InChIKeyUCXNFLAKCJNXKO-UHFFFAOYSA-N
XLogP2.76
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl [5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 2978721
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 17087952
(5-Oxo-2-p-tolyl-4-trifluoromethyl-4,5-dihydro-1H-imidazol-4-yl)carbamic acid, ethyl ester
CID 4363657
t-Butyl (5-oxo-4-trifluoromethyl-2-phenyl-4,5-dihydro-1h-imidazol-4-yl)carbamate
CID 129769308
2-methyl-N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 16418353
N-[5-oxo-2-phenyl-1-(propan-2-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]cyclopropanecarboxamide
CID 16764287
N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 17087953
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 17087955
N-[5-oxo-2-phenyl-1-(2-phenylethyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]butanamide
CID 42650412
N-[5-oxo-2-phenyl-1-(3-phenylpropyl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]propanamide
CID 46502793
ethyl [5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764166
ethyl [5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764168

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate (CID 4901899) is ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is CCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(CC2CCCN2CC)C1=O.
What is the InChIKey of ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
The InChIKey is UCXNFLAKCJNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-3-26-12-8-11-15(26)13-27-16(14-9-6-5-7-10-14)24-19(17(27)28,20(21,22)23)25-18(29)30-4-2/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,25,29).
What are the key properties of ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate?
ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate has a molecular weight of 426.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate is sourced from PubChem (CID 4901899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).