N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

C24H25N5O — CID 155060221

IUPACN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C)cc1C
InChIInChI=1S/C24H25N5O/c1-16-11-18(3)21(12-17(16)2)22-14-25-24(28(22)4)27-23(30)20-8-5-7-19(13-20)15-29-10-6-9-26-29/h5-14H,15H2,1-4H3,(H,25,27,30)
InChIKeyZEFNKPMWIKSEHD-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.51
Rot. Bonds5

About N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 155060221) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID155060221
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C)cc1C
InChIInChI=1S/C24H25N5O/c1-16-11-18(3)21(12-17(16)2)22-14-25-24(28(22)4)27-23(30)20-8-5-7-19(13-20)15-29-10-6-9-26-29/h5-14H,15H2,1-4H3,(H,25,27,30)
InChIKeyZEFNKPMWIKSEHD-UHFFFAOYSA-N
XLogP4.51
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58945732
US9862707, Example 5
CID 118394045
7-[(2-Methylimidazol-1-yl)methyl]-2-[(2-methylpyridin-4-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 147934765
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153238800
2-[(4-Ethylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572297
7-[(2-Methylimidazol-1-yl)methyl]-2-[(4-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572325
7-[(2-Methylimidazol-1-yl)methyl]-2-[(6-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572508
7-[(2-Methylimidazol-1-yl)methyl]-2-[(3-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572565
2-[(4-Ethyl-2-pyridinyl)methyl]-7-[(2-methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 168271568
3-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(1-methyl-1H-benzimidazol-2-yl)benzamide
CID 1314911

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (CID 155060221) is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C)cc1C.
What is the InChIKey of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is ZEFNKPMWIKSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-11-18(3)21(12-17(16)2)22-14-25-24(28(22)4)27-23(30)20-8-5-7-19(13-20)15-29-10-6-9-26-29/h5-14H,15H2,1-4H3,(H,25,27,30).
What are the key properties of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 399.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 155060221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).