N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide

C13H16N4O — CID 82559349

IUPACN-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2CCN)cc1
InChIInChI=1S/C13H16N4O/c1-10(18)16-12-4-2-11(3-5-12)13-15-7-9-17(13)8-6-14/h2-5,7,9H,6,8,14H2,1H3,(H,16,18)
InChIKeyIPCQDEFMSSXPTE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.47
Rot. Bonds4

About N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide

N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide (PubChem CID 82559349) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
PubChem CID82559349
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2CCN)cc1
InChIInChI=1S/C13H16N4O/c1-10(18)16-12-4-2-11(3-5-12)13-15-7-9-17(13)8-6-14/h2-5,7,9H,6,8,14H2,1H3,(H,16,18)
InChIKeyIPCQDEFMSSXPTE-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 70732819
N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 56869896
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
CID 60998965
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
N-[4-[1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]imidazol-2-yl]phenyl]acetamide
CID 56869558
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
CID 61070466

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide (CID 82559349) is N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nccn2CCN)cc1.
What is the InChIKey of N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide?
The InChIKey is IPCQDEFMSSXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(18)16-12-4-2-11(3-5-12)13-15-7-9-17(13)8-6-14/h2-5,7,9H,6,8,14H2,1H3,(H,16,18).
What are the key properties of N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide?
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 82559349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).