N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide

C20H23F2N5O4 — CID 155883051

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyUHBFOFSFPSKTRS-UHFFFAOYSA-N
MW435.43 g/mol
LogP1.64
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide (PubChem CID 155883051) has the molecular formula C20H23F2N5O4 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
PubChem CID155883051
Molecular FormulaC20H23F2N5O4
Molecular Weight435.43 g/mol
Exact Mass435.17
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyUHBFOFSFPSKTRS-UHFFFAOYSA-N
XLogP1.64
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Propoxyphenyl)-6-purinone
CID 135529458
8-cyclopentyl-1-propyl-2-[3-(trifluoromethyl)phenoxy]-7H-purin-6-one
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2-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,9-dihydro-6H-purin-6-one
CID 135874482
2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
CID 163217043
(R)-1-(1-(2-(4-methoxyphenyl)acetyl)pyrrolidin-3-yl)-N-phenethyl-1H-imidazole-5-carboxamide (1)
CID 134612038
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
CID 44532653
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45267807
N-[[(1S,5R)-3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45268687
N-[[(1S,5R)-3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45270376
N-[[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45272936
1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 45272939
N-[(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 46216732

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide (CID 155883051) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide is CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The InChIKey is UHBFOFSFPSKTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O4/c1-23-16(28)12-27(11-13-6-2-3-7-15(13)31-20(21)22)18(29)14-10-24-17(25-14)19(30)26-8-4-5-9-26/h2-3,6-7,10,20H,4-5,8-9,11-12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155883051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).