ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide

C32H39N3O2 — CID 143076233

IUPACethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide
SMILESCC.CCCOc1ccc(-c2nc(-c3ccccc3)n(CC)c2C(=O)NC(CC)c2ccccc2)cc1
InChIInChI=1S/C30H33N3O2.C2H6/c1-4-21-35-25-19-17-23(18-20-25)27-28(30(34)31-26(5-2)22-13-9-7-10-14-22)33(6-3)29(32-27)24-15-11-8-12-16-24;1-2/h7-20,26H,4-6,21H2,1-3H3,(H,31,34);1-2H3
InChIKeyCNDGTPBJIYFVTF-UHFFFAOYSA-N
MW497.68 g/mol
LogP7.93
Rot. Bonds10

About ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide

ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide (PubChem CID 143076233) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Nameethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide
PubChem CID143076233
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC Nameethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide
SMILESCC.CCCOc1ccc(-c2nc(-c3ccccc3)n(CC)c2C(=O)NC(CC)c2ccccc2)cc1
InChIInChI=1S/C30H33N3O2.C2H6/c1-4-21-35-25-19-17-23(18-20-25)27-28(30(34)31-26(5-2)22-13-9-7-10-14-22)33(6-3)29(32-27)24-15-11-8-12-16-24;1-2/h7-20,26H,4-6,21H2,1-3H3,(H,31,34);1-2H3
InChIKeyCNDGTPBJIYFVTF-UHFFFAOYSA-N
XLogP7.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide?
The IUPAC name of ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide (CID 143076233) is ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide is CC.CCCOc1ccc(-c2nc(-c3ccccc3)n(CC)c2C(=O)NC(CC)c2ccccc2)cc1.
What is the InChIKey of ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide?
The InChIKey is CNDGTPBJIYFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2.C2H6/c1-4-21-35-25-19-17-23(18-20-25)27-28(30(34)31-26(5-2)22-13-9-7-10-14-22)33(6-3)29(32-27)24-15-11-8-12-16-24;1-2/h7-20,26H,4-6,21H2,1-3H3,(H,31,34);1-2H3.
What are the key properties of ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide?
ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide has a molecular weight of 497.68 g/mol, XLogP of 7.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-2-phenyl-N-(1-phenylpropyl)-5-(4-propoxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 143076233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).