N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide

C17H20N4O2 — CID 11404180

IUPACN-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide
SMILESCCCc1nc(C)c(C#N)n1NC(=O)c1ccccc1OCC
InChIInChI=1S/C17H20N4O2/c1-4-8-16-19-12(3)14(11-18)21(16)20-17(22)13-9-6-7-10-15(13)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,22)
InChIKeyIRTDMWOIBPCTQG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds6

About N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide

N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide (PubChem CID 11404180) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide
PubChem CID11404180
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide
SMILESCCCc1nc(C)c(C#N)n1NC(=O)c1ccccc1OCC
InChIInChI=1S/C17H20N4O2/c1-4-8-16-19-12(3)14(11-18)21(16)20-17(22)13-9-6-7-10-15(13)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,22)
InChIKeyIRTDMWOIBPCTQG-UHFFFAOYSA-N
XLogP2.80
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide?
The IUPAC name of N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide (CID 11404180) is N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide.
What is the SMILES notation for N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide?
The canonical SMILES for N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide is CCCc1nc(C)c(C#N)n1NC(=O)c1ccccc1OCC.
What is the InChIKey of N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide?
The InChIKey is IRTDMWOIBPCTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-8-16-19-12(3)14(11-18)21(16)20-17(22)13-9-6-7-10-15(13)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,22).
What are the key properties of N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide?
N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide is sourced from PubChem (CID 11404180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).