4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C21H27N5O — CID 74245945

IUPAC4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(CC(C)C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H27N5O/c1-15(2)12-26(13-20-16(3)23-24(5)17(20)4)21(27)18-6-8-19(9-7-18)25-11-10-22-14-25/h6-11,14-15H,12-13H2,1-5H3
InChIKeyXCRHBPDFVBMTGX-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.52
Rot. Bonds6

About 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 74245945) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID74245945
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(CC(C)C)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H27N5O/c1-15(2)12-26(13-20-16(3)23-24(5)17(20)4)21(27)18-6-8-19(9-7-18)25-11-10-22-14-25/h6-11,14-15H,12-13H2,1-5H3
InChIKeyXCRHBPDFVBMTGX-UHFFFAOYSA-N
XLogP3.52
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-(1,2,4-triazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50972818
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 46396702
N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 78860403
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 74245945) is 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(CC(C)C)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is XCRHBPDFVBMTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15(2)12-26(13-20-16(3)23-24(5)17(20)4)21(27)18-6-8-19(9-7-18)25-11-10-22-14-25/h6-11,14-15H,12-13H2,1-5H3.
What are the key properties of 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(2-methylpropyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 74245945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).