5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

C17H23N5O2 — CID 90802802

IUPAC5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC2CC2)c(C2CCC=CO2)n1CCCn1ccnc1
InChIInChI=1S/C17H23N5O2/c23-17-20-16(19-13-5-6-13)15(14-4-1-2-11-24-14)22(17)9-3-8-21-10-7-18-12-21/h2,7,10-14,19H,1,3-6,8-9H2,(H,20,23)
InChIKeyIHJATHUAYYSKJR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.40
Rot. Bonds7

About 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 90802802) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID90802802
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC2CC2)c(C2CCC=CO2)n1CCCn1ccnc1
InChIInChI=1S/C17H23N5O2/c23-17-20-16(19-13-5-6-13)15(14-4-1-2-11-24-14)22(17)9-3-8-21-10-7-18-12-21/h2,7,10-14,19H,1,3-6,8-9H2,(H,20,23)
InChIKeyIHJATHUAYYSKJR-UHFFFAOYSA-N
XLogP2.40
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 90802802) is 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NC2CC2)c(C2CCC=CO2)n1CCCn1ccnc1.
What is the InChIKey of 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is IHJATHUAYYSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17-20-16(19-13-5-6-13)15(14-4-1-2-11-24-14)22(17)9-3-8-21-10-7-18-12-21/h2,7,10-14,19H,1,3-6,8-9H2,(H,20,23).
What are the key properties of 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 90802802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).