N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide

C25H31N3O — CID 25190475

IUPACN,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCC(=O)N(C)C
InChIInChI=1S/C25H31N3O/c1-20-26-24(21-14-8-6-9-15-21)25(22-16-10-7-11-17-22)28(20)19-13-5-4-12-18-23(29)27(2)3/h6-11,14-17H,4-5,12-13,18-19H2,1-3H3
InChIKeyBYTKLHBAHFDCAO-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.56
Rot. Bonds9

About N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide

N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide (PubChem CID 25190475) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide
PubChem CID25190475
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCC(=O)N(C)C
InChIInChI=1S/C25H31N3O/c1-20-26-24(21-14-8-6-9-15-21)25(22-16-10-7-11-17-22)28(20)19-13-5-4-12-18-23(29)27(2)3/h6-11,14-17H,4-5,12-13,18-19H2,1-3H3
InChIKeyBYTKLHBAHFDCAO-UHFFFAOYSA-N
XLogP5.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190469
ethyl 7-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]heptanoate
CID 25190480
2-benzyl-N,N-diethylbenzimidazole-1-carboxamide
CID 735650
Lepidiline B
CID 9862174
ethyl 6-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)hexanoate
CID 25190468
ethyl 8-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)octanoate
CID 25190470
ethyl 2-methyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190471
N,N-dimethyl-4,5-diphenyl-1H-imidazole-1-carboxamide
CID 807058
1-benzyl-4-(1-ethyl-1H-1,3-benzodiazol-2-yl)pyrrolidin-2-one
CID 4754173
1-benzyl-4-(1-(2-methylallyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one
CID 4754187
N-Cyclohexyl-4,5-di-(4-methylphenyl)-1-methylimidazole-2-carboxamide
CID 10134835
1-methyl-N-(piperidin-1-yl)-4,5-dip-tolyl-1H-imidazole-2-carboxamide
CID 10157119

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide?
The IUPAC name of N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide (CID 25190475) is N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide.
What is the SMILES notation for N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide?
The canonical SMILES for N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide is Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide?
The InChIKey is BYTKLHBAHFDCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-20-26-24(21-14-8-6-9-15-21)25(22-16-10-7-11-17-22)28(20)19-13-5-4-12-18-23(29)27(2)3/h6-11,14-17H,4-5,12-13,18-19H2,1-3H3.
What are the key properties of N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide?
N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide has a molecular weight of 389.54 g/mol, XLogP of 5.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanamide is sourced from PubChem (CID 25190475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).