N,N-diethyl-4,5-diphenylimidazole-1-carboxamide

C20H21N3O — CID 806670

IUPACN,N-diethyl-4,5-diphenylimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-22(4-2)20(24)23-15-21-18(16-11-7-5-8-12-16)19(23)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyFAAQXWJXJOKAQW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.53
Rot. Bonds4

About N,N-diethyl-4,5-diphenylimidazole-1-carboxamide

N,N-diethyl-4,5-diphenylimidazole-1-carboxamide (PubChem CID 806670) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-diethyl-4,5-diphenylimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-diphenylimidazole-1-carboxamide
PubChem CID806670
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN,N-diethyl-4,5-diphenylimidazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-3-22(4-2)20(24)23-15-21-18(16-11-7-5-8-12-16)19(23)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3
InChIKeyFAAQXWJXJOKAQW-UHFFFAOYSA-N
XLogP4.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-diphenylimidazole-1-carboxamide?
The IUPAC name of N,N-diethyl-4,5-diphenylimidazole-1-carboxamide (CID 806670) is N,N-diethyl-4,5-diphenylimidazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4,5-diphenylimidazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-4,5-diphenylimidazole-1-carboxamide is CCN(CC)C(=O)n1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N,N-diethyl-4,5-diphenylimidazole-1-carboxamide?
The InChIKey is FAAQXWJXJOKAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-22(4-2)20(24)23-15-21-18(16-11-7-5-8-12-16)19(23)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4,5-diphenylimidazole-1-carboxamide?
N,N-diethyl-4,5-diphenylimidazole-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-diphenylimidazole-1-carboxamide is sourced from PubChem (CID 806670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).