1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one

C21H20N2O — CID 169104066

IUPAC1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1
InChIInChI=1S/C21H20N2O/c24-18(15-11-12-15)13-14-19-22-20(16-7-3-1-4-8-16)21(23-19)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,23)
InChIKeyPWDFZCKTUGYXNS-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.66
Rot. Bonds6

About 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one

1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one (PubChem CID 169104066) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one
PubChem CID169104066
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1
InChIInChI=1S/C21H20N2O/c24-18(15-11-12-15)13-14-19-22-20(16-7-3-1-4-8-16)21(23-19)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,23)
InChIKeyPWDFZCKTUGYXNS-UHFFFAOYSA-N
XLogP4.66
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one (CID 169104066) is 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one?
The InChIKey is PWDFZCKTUGYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-18(15-11-12-15)13-14-19-22-20(16-7-3-1-4-8-16)21(23-19)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,23).
What are the key properties of 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one?
1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one has a molecular weight of 316.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,5-diphenyl-1H-imidazol-2-yl)propan-1-one is sourced from PubChem (CID 169104066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).