N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide

C21H25F2N5O5 — CID 162643931

IUPACN-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccc(OC)cc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C21H25F2N5O5/c1-24-17(29)12-28(11-13-5-6-14(32-2)9-16(13)33-21(22)23)19(30)15-10-25-18(26-15)20(31)27-7-3-4-8-27/h5-6,9-10,21H,3-4,7-8,11-12H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyAHHCKRNAMPGQBA-UHFFFAOYSA-N
MW465.46 g/mol
LogP1.64
Rot. Bonds9

About N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide

N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide (PubChem CID 162643931) has the molecular formula C21H25F2N5O5 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
PubChem CID162643931
Molecular FormulaC21H25F2N5O5
Molecular Weight465.46 g/mol
Exact Mass465.18
IUPAC NameN-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
SMILESCNC(=O)CN(Cc1ccc(OC)cc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1
InChIInChI=1S/C21H25F2N5O5/c1-24-17(29)12-28(11-13-5-6-14(32-2)9-16(13)33-21(22)23)19(30)15-10-25-18(26-15)20(31)27-7-3-4-8-27/h5-6,9-10,21H,3-4,7-8,11-12H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyAHHCKRNAMPGQBA-UHFFFAOYSA-N
XLogP1.64
TPSA116.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide (CID 162643931) is N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide is CNC(=O)CN(Cc1ccc(OC)cc1OC(F)F)C(=O)c1cnc(C(=O)N2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
The InChIKey is AHHCKRNAMPGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O5/c1-24-17(29)12-28(11-13-5-6-14(32-2)9-16(13)33-21(22)23)19(30)15-10-25-18(26-15)20(31)27-7-3-4-8-27/h5-6,9-10,21H,3-4,7-8,11-12H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide?
N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 162643931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).