1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone

C12H19N3O — CID 107501388

IUPAC1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
SMILESNCCn1cnc(C(=O)CC2CCCC2)c1
InChIInChI=1S/C12H19N3O/c13-5-6-15-8-11(14-9-15)12(16)7-10-3-1-2-4-10/h8-10H,1-7,13H2
InChIKeyZCOTYELTNOQSBL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds5

About 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone

1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone (PubChem CID 107501388) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
PubChem CID107501388
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
SMILESNCCn1cnc(C(=O)CC2CCCC2)c1
InChIInChI=1S/C12H19N3O/c13-5-6-15-8-11(14-9-15)12(16)7-10-3-1-2-4-10/h8-10H,1-7,13H2
InChIKeyZCOTYELTNOQSBL-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
[1-(2-aminoethyl)imidazol-4-yl]-(4-ethylcyclohexyl)methanone
CID 107501563
1-(2-aminoethyl)-N-(2-tert-butylcyclohexyl)imidazole-4-carboxamide
CID 107496221
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
1-(2-aminoethyl)-N-(2-ethylcyclohexyl)imidazole-4-carboxamide
CID 107496463
2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone
CID 65195414
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
1-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 107497845
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
1-[1-(2-aminoethyl)imidazol-4-yl]hex-4-yn-1-one
CID 107501445
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone (CID 107501388) is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone is NCCn1cnc(C(=O)CC2CCCC2)c1.
What is the InChIKey of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone?
The InChIKey is ZCOTYELTNOQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-5-6-15-8-11(14-9-15)12(16)7-10-3-1-2-4-10/h8-10H,1-7,13H2.
What are the key properties of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone?
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone has a molecular weight of 221.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone is sourced from PubChem (CID 107501388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).