4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide

C20H22N4O — CID 122564685

IUPAC4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)n1ccnc1-c1ccc(C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)24-13-12-22-19(24)17-5-7-18(8-6-17)20(25)23-11-9-16-4-3-10-21-14-16/h3-8,10,12-15H,9,11H2,1-2H3,(H,23,25)
InChIKeyUQBPQLBUPVHQAJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.50
Rot. Bonds6

About 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide

4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 122564685) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID122564685
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide
SMILESCC(C)n1ccnc1-c1ccc(C(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C20H22N4O/c1-15(2)24-13-12-22-19(24)17-5-7-18(8-6-17)20(25)23-11-9-16-4-3-10-21-14-16/h3-8,10,12-15H,9,11H2,1-2H3,(H,23,25)
InChIKeyUQBPQLBUPVHQAJ-UHFFFAOYSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798
4-(1,6-naphthyridin-5-yl)-N-(2-pyridin-3-ylethyl)benzamide
CID 162631073
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368
6-(2-methoxypyrimidin-5-yl)-N-(2-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 172656290
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
4-(cyclobutylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 70717840
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide (CID 122564685) is 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide is CC(C)n1ccnc1-c1ccc(C(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is UQBPQLBUPVHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(2)24-13-12-22-19(24)17-5-7-18(8-6-17)20(25)23-11-9-16-4-3-10-21-14-16/h3-8,10,12-15H,9,11H2,1-2H3,(H,23,25).
What are the key properties of 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide?
4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylimidazol-2-yl)-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 122564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).