5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide

C21H23N3O — CID 10359485

IUPAC5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide
SMILESCc1nccn1CCCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-17-23-14-16-24(17)15-8-13-21(20(22)25,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H2,22,25)
InChIKeyZEYFSMSTQJUAOG-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.44
Rot. Bonds7

About 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide

5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide (PubChem CID 10359485) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide.

Molecular Properties

Compound Name5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide
PubChem CID10359485
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide
SMILESCc1nccn1CCCC(C(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-17-23-14-16-24(17)15-8-13-21(20(22)25,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H2,22,25)
InChIKeyZEYFSMSTQJUAOG-UHFFFAOYSA-N
XLogP3.44
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide?
The IUPAC name of 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide (CID 10359485) is 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide.
What is the SMILES notation for 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide?
The canonical SMILES for 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide is Cc1nccn1CCCC(C(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide?
The InChIKey is ZEYFSMSTQJUAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-23-14-16-24(17)15-8-13-21(20(22)25,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H2,22,25).
What are the key properties of 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide?
5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide has a molecular weight of 333.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazol-1-yl)-2,2-diphenylpentanamide is sourced from PubChem (CID 10359485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).