1-cyclopropyl-5-(3-methoxyphenyl)imidazole

C13H14N2O — CID 155924205

IUPAC1-cyclopropyl-5-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2cncn2C2CC2)c1
InChIInChI=1S/C13H14N2O/c1-16-12-4-2-3-10(7-12)13-8-14-9-15(13)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3
InChIKeyQDUWABSVYNRIEJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.89
Rot. Bonds3

About 1-cyclopropyl-5-(3-methoxyphenyl)imidazole

1-cyclopropyl-5-(3-methoxyphenyl)imidazole (PubChem CID 155924205) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cyclopropyl-5-(3-methoxyphenyl)imidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-(3-methoxyphenyl)imidazole
PubChem CID155924205
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-cyclopropyl-5-(3-methoxyphenyl)imidazole
SMILESCOc1cccc(-c2cncn2C2CC2)c1
InChIInChI=1S/C13H14N2O/c1-16-12-4-2-3-10(7-12)13-8-14-9-15(13)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3
InChIKeyQDUWABSVYNRIEJ-UHFFFAOYSA-N
XLogP2.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(3-methoxyphenyl)imidazole?
The IUPAC name of 1-cyclopropyl-5-(3-methoxyphenyl)imidazole (CID 155924205) is 1-cyclopropyl-5-(3-methoxyphenyl)imidazole.
What is the SMILES notation for 1-cyclopropyl-5-(3-methoxyphenyl)imidazole?
The canonical SMILES for 1-cyclopropyl-5-(3-methoxyphenyl)imidazole is COc1cccc(-c2cncn2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-(3-methoxyphenyl)imidazole?
The InChIKey is QDUWABSVYNRIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-12-4-2-3-10(7-12)13-8-14-9-15(13)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3.
What are the key properties of 1-cyclopropyl-5-(3-methoxyphenyl)imidazole?
1-cyclopropyl-5-(3-methoxyphenyl)imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(3-methoxyphenyl)imidazole is sourced from PubChem (CID 155924205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).