N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide

C24H23F2N5O4 — CID 162668218

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C24H23F2N5O4/c1-27-20(32)14-31(13-17-8-4-5-9-19(17)35-24(25)26)22(33)18-10-28-21(29-18)23(34)30-11-15-6-2-3-7-16(15)12-30/h2-10,24H,11-14H2,1H3,(H,27,32)(H,28,29)
InChIKeyJNOGMCOTCINPDR-UHFFFAOYSA-N
MW483.48 g/mol
LogP2.56
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide (PubChem CID 162668218) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
PubChem CID162668218
Molecular FormulaC24H23F2N5O4
Molecular Weight483.48 g/mol
Exact Mass483.17
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2Cc3ccccc3C2)[nH]1
InChIInChI=1S/C24H23F2N5O4/c1-27-20(32)14-31(13-17-8-4-5-9-19(17)35-24(25)26)22(33)18-10-28-21(29-18)23(34)30-11-15-6-2-3-7-16(15)12-30/h2-10,24H,11-14H2,1H3,(H,27,32)(H,28,29)
InChIKeyJNOGMCOTCINPDR-UHFFFAOYSA-N
XLogP2.56
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 155883051
8-[4-(3-imidazol-1-ylpropoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76325371
(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
methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 71579542
8-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 76332600
Tak1-IN-2
CID 162640852
2-[5-[[2-(difluoromethoxy)phenyl]methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-1H-imidazole-2-carbonyl]-1,3-dihydroisoindole-5-carboxamide
CID 162652696
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[1-(methylamino)-1-oxobutan-2-yl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162653640
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162672685
N-[[2-(difluoromethoxy)phenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(3-methylpyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162673899

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide (CID 162668218) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide is CNC(=O)CN(Cc1ccccc1OC(F)F)C(=O)c1cnc(C(=O)N2Cc3ccccc3C2)[nH]1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The InChIKey is JNOGMCOTCINPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c1-27-20(32)14-31(13-17-8-4-5-9-19(17)35-24(25)26)22(33)18-10-28-21(29-18)23(34)30-11-15-6-2-3-7-16(15)12-30/h2-10,24H,11-14H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 2.56, 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]-2-(1,3-dihydroisoindole-2-carbonyl)-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 162668218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).