2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone

C16H20N4O — CID 114707087

IUPAC2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNC(c1ccccc1)c1cncn1CC(=O)N1CCCC1
InChIInChI=1S/C16H20N4O/c17-16(13-6-2-1-3-7-13)14-10-18-12-20(14)11-15(21)19-8-4-5-9-19/h1-3,6-7,10,12,16H,4-5,8-9,11,17H2
InChIKeyUXDVKBSYBFTVKW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds4

About 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 114707087) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID114707087
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNC(c1ccccc1)c1cncn1CC(=O)N1CCCC1
InChIInChI=1S/C16H20N4O/c17-16(13-6-2-1-3-7-13)14-10-18-12-20(14)11-15(21)19-8-4-5-9-19/h1-3,6-7,10,12,16H,4-5,8-9,11,17H2
InChIKeyUXDVKBSYBFTVKW-UHFFFAOYSA-N
XLogP1.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 104943658
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 114705602
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 114707092
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
3-amino-2-methyl-3-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 119876007
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 114707087) is 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone is NC(c1ccccc1)c1cncn1CC(=O)N1CCCC1.
What is the InChIKey of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is UXDVKBSYBFTVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16(13-6-2-1-3-7-13)14-10-18-12-20(14)11-15(21)19-8-4-5-9-19/h1-3,6-7,10,12,16H,4-5,8-9,11,17H2.
What are the key properties of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 284.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114707087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).