N-(2-phenylethyl)imidazole-1-carboxamide

C12H13N3O — CID 10751166

IUPACN-(2-phenylethyl)imidazole-1-carboxamide
SMILESO=C(NCCc1ccccc1)n1ccnc1
InChIInChI=1S/C12H13N3O/c16-12(15-9-8-13-10-15)14-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,16)
InChIKeyJSTAJYFVLYZJTP-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.68
Rot. Bonds3

About N-(2-phenylethyl)imidazole-1-carboxamide

N-(2-phenylethyl)imidazole-1-carboxamide (PubChem CID 10751166) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-phenylethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)imidazole-1-carboxamide
PubChem CID10751166
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2-phenylethyl)imidazole-1-carboxamide
SMILESO=C(NCCc1ccccc1)n1ccnc1
InChIInChI=1S/C12H13N3O/c16-12(15-9-8-13-10-15)14-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,16)
InChIKeyJSTAJYFVLYZJTP-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)imidazole-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)imidazole-1-carboxamide (CID 10751166) is N-(2-phenylethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)imidazole-1-carboxamide is O=C(NCCc1ccccc1)n1ccnc1.
What is the InChIKey of N-(2-phenylethyl)imidazole-1-carboxamide?
The InChIKey is JSTAJYFVLYZJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(15-9-8-13-10-15)14-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,14,16).
What are the key properties of N-(2-phenylethyl)imidazole-1-carboxamide?
N-(2-phenylethyl)imidazole-1-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)imidazole-1-carboxamide is sourced from PubChem (CID 10751166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).