5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

C16H21N3O — CID 61214388

IUPAC5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCCc1ccc(-c2cnc(C3CC(OC)CN3)[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-3-11-4-6-12(7-5-11)15-10-18-16(19-15)14-8-13(20-2)9-17-14/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyARHSMJHOEKLWNP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds4

About 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole

5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (PubChem CID 61214388) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
PubChem CID61214388
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole
SMILESCCc1ccc(-c2cnc(C3CC(OC)CN3)[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-3-11-4-6-12(7-5-11)15-10-18-16(19-15)14-8-13(20-2)9-17-14/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyARHSMJHOEKLWNP-UHFFFAOYSA-N
XLogP2.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole (CID 61214388) is 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is CCc1ccc(-c2cnc(C3CC(OC)CN3)[nH]2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
The InChIKey is ARHSMJHOEKLWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-11-4-6-12(7-5-11)15-10-18-16(19-15)14-8-13(20-2)9-17-14/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole?
5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole has a molecular weight of 271.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-(4-methoxypyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 61214388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).