N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide

C19H26N4O2 — CID 56869558

IUPACN-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide
SMILESCOCCN1CCC(Cn2ccnc2-c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-15(24)21-18-5-3-17(4-6-18)19-20-8-10-23(19)14-16-7-9-22(13-16)11-12-25-2/h3-6,8,10,16H,7,9,11-14H2,1-2H3,(H,21,24)
InChIKeyNRMHZIQASALSRH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.48
Rot. Bonds7

About N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide

N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide (PubChem CID 56869558) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide
PubChem CID56869558
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide
SMILESCOCCN1CCC(Cn2ccnc2-c2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-15(24)21-18-5-3-17(4-6-18)19-20-8-10-23(19)14-16-7-9-22(13-16)11-12-25-2/h3-6,8,10,16H,7,9,11-14H2,1-2H3,(H,21,24)
InChIKeyNRMHZIQASALSRH-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
[(3S)-3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 86691132
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
tert-butyl (3S)-3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 66803555
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 70732819

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide (CID 56869558) is N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide is COCCN1CCC(Cn2ccnc2-c2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide?
The InChIKey is NRMHZIQASALSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(24)21-18-5-3-17(4-6-18)19-20-8-10-23(19)14-16-7-9-22(13-16)11-12-25-2/h3-6,8,10,16H,7,9,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide?
N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 56869558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).