N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide

C22H25N3O — CID 119072670

IUPACN-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
SMILESCCN(CCCc1ccccc1)C(=O)c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C22H25N3O/c1-3-25(16-7-10-18-8-5-4-6-9-18)22(26)20-13-11-19(12-14-20)21-23-15-17-24(21)2/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3
InChIKeyLBYSXEYLSROAPM-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.18
Rot. Bonds7

About N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide

N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide (PubChem CID 119072670) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
PubChem CID119072670
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
SMILESCCN(CCCc1ccccc1)C(=O)c1ccc(-c2nccn2C)cc1
InChIInChI=1S/C22H25N3O/c1-3-25(16-7-10-18-8-5-4-6-9-18)22(26)20-13-11-19(12-14-20)21-23-15-17-24(21)2/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3
InChIKeyLBYSXEYLSROAPM-UHFFFAOYSA-N
XLogP4.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide (CID 119072670) is N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide is CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nccn2C)cc1.
What is the InChIKey of N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide?
The InChIKey is LBYSXEYLSROAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-25(16-7-10-18-8-5-4-6-9-18)22(26)20-13-11-19(12-14-20)21-23-15-17-24(21)2/h4-6,8-9,11-15,17H,3,7,10,16H2,1-2H3.
What are the key properties of N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide?
N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 119072670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).