1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one

C15H19N3O — CID 117396906

IUPAC1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(C3(N)CC3)cc2)c1=O
InChIInChI=1S/C15H19N3O/c1-11(2)17-9-10-18(14(17)19)13-5-3-12(4-6-13)15(16)7-8-15/h3-6,9-11H,7-8,16H2,1-2H3
InChIKeySONGXYKVZIMXMW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds3

About 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one

1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one (PubChem CID 117396906) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one
PubChem CID117396906
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2ccc(C3(N)CC3)cc2)c1=O
InChIInChI=1S/C15H19N3O/c1-11(2)17-9-10-18(14(17)19)13-5-3-12(4-6-13)15(16)7-8-15/h3-6,9-11H,7-8,16H2,1-2H3
InChIKeySONGXYKVZIMXMW-UHFFFAOYSA-N
XLogP2.17
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one (CID 117396906) is 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(-c2ccc(C3(N)CC3)cc2)c1=O.
What is the InChIKey of 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is SONGXYKVZIMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)17-9-10-18(14(17)19)13-5-3-12(4-6-13)15(16)7-8-15/h3-6,9-11H,7-8,16H2,1-2H3.
What are the key properties of 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one?
1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 117396906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).