N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide

C25H32N4O — CID 135115238

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)cc2)cc1
InChIInChI=1S/C25H32N4O/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)29(16-15-28(3)4)18-24-17-26-19(2)27-24/h7-14,17H,5-6,15-16,18H2,1-4H3,(H,26,27)
InChIKeyDRHQQPFFCPTWLQ-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.54
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide

N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide (PubChem CID 135115238) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
PubChem CID135115238
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)cc2)cc1
InChIInChI=1S/C25H32N4O/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)29(16-15-28(3)4)18-24-17-26-19(2)27-24/h7-14,17H,5-6,15-16,18H2,1-4H3,(H,26,27)
InChIKeyDRHQQPFFCPTWLQ-UHFFFAOYSA-N
XLogP4.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide (CID 135115238) is N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)N(CCN(C)C)Cc3cnc(C)[nH]3)cc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide?
The InChIKey is DRHQQPFFCPTWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)25(30)29(16-15-28(3)4)18-24-17-26-19(2)27-24/h7-14,17H,5-6,15-16,18H2,1-4H3,(H,26,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide has a molecular weight of 404.56 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 135115238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).