N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C21H20N6O — CID 35859922

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C21H20N6O/c28-21(20-7-5-19(6-8-20)13-27-16-23-14-25-27)24-11-17-1-3-18(4-2-17)12-26-10-9-22-15-26/h1-10,14-16H,11-13H2,(H,24,28)
InChIKeyHCDOIKODSXXOSA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.50
Rot. Bonds7

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 35859922) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID35859922
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C21H20N6O/c28-21(20-7-5-19(6-8-20)13-27-16-23-14-25-27)24-11-17-1-3-18(4-2-17)12-26-10-9-22-15-26/h1-10,14-16H,11-13H2,(H,24,28)
InChIKeyHCDOIKODSXXOSA-UHFFFAOYSA-N
XLogP2.50
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-nitrobenzamide
CID 37426924
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37424907
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 35859922) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HCDOIKODSXXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(20-7-5-19(6-8-20)13-27-16-23-14-25-27)24-11-17-1-3-18(4-2-17)12-26-10-9-22-15-26/h1-10,14-16H,11-13H2,(H,24,28).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 35859922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).