4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one

C14H17N3O — CID 117360209

IUPAC4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one
SMILESCC(N)C1(c2cccc(-c3c[nH]c(=O)[nH]3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-9(15)14(5-6-14)11-4-2-3-10(7-11)12-8-16-13(18)17-12/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18)
InChIKeyFPKMLGPUILQPOF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.75
Rot. Bonds3

About 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one

4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one (PubChem CID 117360209) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one
PubChem CID117360209
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one
SMILESCC(N)C1(c2cccc(-c3c[nH]c(=O)[nH]3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-9(15)14(5-6-14)11-4-2-3-10(7-11)12-8-16-13(18)17-12/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18)
InChIKeyFPKMLGPUILQPOF-UHFFFAOYSA-N
XLogP1.75
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one (CID 117360209) is 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one is CC(N)C1(c2cccc(-c3c[nH]c(=O)[nH]3)c2)CC1.
What is the InChIKey of 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one?
The InChIKey is FPKMLGPUILQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(15)14(5-6-14)11-4-2-3-10(7-11)12-8-16-13(18)17-12/h2-4,7-9H,5-6,15H2,1H3,(H2,16,17,18).
What are the key properties of 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one?
4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 117360209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).