2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid

C20H21N3O2 — CID 22291351

IUPAC2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
SMILESCCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)O)cc1
InChIInChI=1S/C20H21N3O2/c1-2-19-22-18(16-6-4-3-5-7-16)14-23(19)17-10-8-15(9-11-17)12-13-21-20(24)25/h3-11,14,21H,2,12-13H2,1H3,(H,24,25)
InChIKeyVYXQMIWWCBOKNR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.91
Rot. Bonds6

About 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid

2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid (PubChem CID 22291351) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
PubChem CID22291351
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
SMILESCCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)O)cc1
InChIInChI=1S/C20H21N3O2/c1-2-19-22-18(16-6-4-3-5-7-16)14-23(19)17-10-8-15(9-11-17)12-13-21-20(24)25/h3-11,14,21H,2,12-13H2,1H3,(H,24,25)
InChIKeyVYXQMIWWCBOKNR-UHFFFAOYSA-N
XLogP3.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid (CID 22291351) is 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid is CCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid?
The InChIKey is VYXQMIWWCBOKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-19-22-18(16-6-4-3-5-7-16)14-23(19)17-10-8-15(9-11-17)12-13-21-20(24)25/h3-11,14,21H,2,12-13H2,1H3,(H,24,25).
What are the key properties of 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid?
2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid has a molecular weight of 335.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 22291351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).