1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one

C16H21N3O — CID 117431456

IUPAC1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2cccc(C3(CN)CC3)c2)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)18-8-9-19(15(18)20)14-5-3-4-13(10-14)16(11-17)6-7-16/h3-5,8-10,12H,6-7,11,17H2,1-2H3
InChIKeyYSUYVFNYMFAELT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds4

About 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one

1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one (PubChem CID 117431456) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one
PubChem CID117431456
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(-c2cccc(C3(CN)CC3)c2)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)18-8-9-19(15(18)20)14-5-3-4-13(10-14)16(11-17)6-7-16/h3-5,8-10,12H,6-7,11,17H2,1-2H3
InChIKeyYSUYVFNYMFAELT-UHFFFAOYSA-N
XLogP2.21
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one (CID 117431456) is 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(-c2cccc(C3(CN)CC3)c2)c1=O.
What is the InChIKey of 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is YSUYVFNYMFAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)18-8-9-19(15(18)20)14-5-3-4-13(10-14)16(11-17)6-7-16/h3-5,8-10,12H,6-7,11,17H2,1-2H3.
What are the key properties of 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one?
1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(aminomethyl)cyclopropyl]phenyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 117431456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).