4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one

C7H13N3O — CID 84731337

IUPAC4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1CN
InChIInChI=1S/C7H13N3O/c1-4(2)6-5(3-8)9-7(11)10-6/h4H,3,8H2,1-2H3,(H2,9,10,11)
InChIKeyLAGYGRCZIJQCLS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.29
Rot. Bonds2

About 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one

4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one (PubChem CID 84731337) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
PubChem CID84731337
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1CN
InChIInChI=1S/C7H13N3O/c1-4(2)6-5(3-8)9-7(11)10-6/h4H,3,8H2,1-2H3,(H2,9,10,11)
InChIKeyLAGYGRCZIJQCLS-UHFFFAOYSA-N
XLogP0.29
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one (CID 84731337) is 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one is CC(C)c1[nH]c(=O)[nH]c1CN.
What is the InChIKey of 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The InChIKey is LAGYGRCZIJQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4(2)6-5(3-8)9-7(11)10-6/h4H,3,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84731337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).