4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one

C7H13N3O — CID 82416305

IUPAC4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1CCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-4-8)10(2)7(11)9-5/h3-4,8H2,1-2H3,(H,9,11)
InChIKeyKQIYMAYAPMQKLP-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.48
Rot. Bonds2

About 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one

4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one (PubChem CID 82416305) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one
PubChem CID82416305
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(C)c1CCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-4-8)10(2)7(11)9-5/h3-4,8H2,1-2H3,(H,9,11)
InChIKeyKQIYMAYAPMQKLP-UHFFFAOYSA-N
XLogP-0.48
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-diethyl-3-methyl-1H-imidazol-2-one
CID 21856644
4-(1-Amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
CID 112545533
4,5-diethyl-3-(2-fluoroethyl)-1H-imidazol-2-one
CID 143790256
3,4,5-triethyl-1H-imidazol-2-one
CID 21856643
4-ethyl-3,5-dimethyl-1H-imidazol-2-one
CID 117884485
6,7-Dimethyl-1,3,4,5-tetrahydro-1,3-diazepin-2-one
CID 118586824
4-Ethyl-1,3-diazabicyclo[3.2.0]hept-4-en-2-one
CID 124175578
3,4-dimethyl-5-propan-2-yl-1H-imidazol-2-one
CID 145369188
4-ethyl-3-methyl-5-propan-2-yl-1H-imidazol-2-one
CID 155116175
4-(3-Aminopropyl)-5-ethyl-1,3-dihydroimidazol-2-one
CID 155228090
4-(2-aminoethyl)-3,5-diethyl-1H-imidazol-2-one
CID 82407022
4-(2-aminoethyl)-5-ethyl-3-methyl-1H-imidazol-2-one
CID 82412727

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one (CID 82416305) is 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(C)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one?
The InChIKey is KQIYMAYAPMQKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(3-4-8)10(2)7(11)9-5/h3-4,8H2,1-2H3,(H,9,11).
What are the key properties of 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one?
4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 82416305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).