2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C18H22N6O — CID 110121961

IUPAC2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccnn2C)cn1
InChIInChI=1S/C18H22N6O/c1-22(2)11-14-12-24(13-20-14)17-7-5-4-6-16(17)18(25)19-10-15-8-9-21-23(15)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,25)
InChIKeyCTZIPWFQBWYHHF-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 110121961) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID110121961
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccnn2C)cn1
InChIInChI=1S/C18H22N6O/c1-22(2)11-14-12-24(13-20-14)17-7-5-4-6-16(17)18(25)19-10-15-8-9-21-23(15)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,25)
InChIKeyCTZIPWFQBWYHHF-UHFFFAOYSA-N
XLogP1.60
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 110121932
2-[4-(aminomethyl)imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121856
2-[4-[[methyl(methylsulfonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098588
2-[4-[[(1-methylpyrazole-3-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098582
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
2-[4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098584
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
N-[(2-methylpyrazol-3-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281316
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 110121961) is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccnn2C)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is CTZIPWFQBWYHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-22(2)11-14-12-24(13-20-14)17-7-5-4-6-16(17)18(25)19-10-15-8-9-21-23(15)3/h4-9,12-13H,10-11H2,1-3H3,(H,19,25).
What are the key properties of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 338.42 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 110121961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).