4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one

C7H13N3O — CID 84731336

IUPAC4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1CCCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-2-4-8)10-7(11)9-5/h2-4,8H2,1H3,(H2,9,10,11)
InChIKeyLVGXROKNNKRCHB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.10
Rot. Bonds3

About 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one

4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 84731336) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID84731336
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1CCCN
InChIInChI=1S/C7H13N3O/c1-5-6(3-2-4-8)10-7(11)9-5/h2-4,8H2,1H3,(H2,9,10,11)
InChIKeyLVGXROKNNKRCHB-UHFFFAOYSA-N
XLogP-0.10
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-methyl-1,3-dihydro-2H-imidazol-2-one
CID 4678624
4-butyl-5-methyl-1,3-dihydro-2H-imidazol-2-one
CID 13478904
4-Ethyl-5-propyl-1,3-dihydroimidazol-2-one
CID 91302743
4,5-Diethyl-1,3-dihydroimidazol-2-one
CID 15316949
4-Methyl-5-propyl-1,3-dihydroimidazol-2-one
CID 14090488
4-Butyl-5-propyl-1,3-dihydroimidazol-2-one
CID 134990080
4-(1-Amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
CID 112545533
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-(3-Aminopropyl)-5-ethyl-1,3-dihydroimidazol-2-one
CID 155228090
4-Methyl-5-propyl-1,3-dihydroimidazol-2-one;molecular hydrogen
CID 176963063
4-(2-aminoethyl)-5-ethyl-3-methyl-1H-imidazol-2-one
CID 82412727

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one (CID 84731336) is 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is LVGXROKNNKRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(3-2-4-8)10-7(11)9-5/h2-4,8H2,1H3,(H2,9,10,11).
What are the key properties of 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84731336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).