2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide

C24H21N5O2 — CID 175242210

IUPAC2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide
SMILESCNC(=O)Cc1cn(-c2ccccc2)c(-c2c(C(N)=O)cccc2-c2ccncc2)n1
InChIInChI=1S/C24H21N5O2/c1-26-21(30)14-17-15-29(18-6-3-2-4-7-18)24(28-17)22-19(16-10-12-27-13-11-16)8-5-9-20(22)23(25)31/h2-13,15H,14H2,1H3,(H2,25,31)(H,26,30)
InChIKeyQUPZEYJBCJIAMM-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.99
Rot. Bonds6

About 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide

2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide (PubChem CID 175242210) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide
PubChem CID175242210
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide
SMILESCNC(=O)Cc1cn(-c2ccccc2)c(-c2c(C(N)=O)cccc2-c2ccncc2)n1
InChIInChI=1S/C24H21N5O2/c1-26-21(30)14-17-15-29(18-6-3-2-4-7-18)24(28-17)22-19(16-10-12-27-13-11-16)8-5-9-20(22)23(25)31/h2-13,15H,14H2,1H3,(H2,25,31)(H,26,30)
InChIKeyQUPZEYJBCJIAMM-UHFFFAOYSA-N
XLogP2.99
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide
CID 174709617
N-methyl-2-(4-pyridin-4-ylphenyl)acetamide
CID 39801868
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one
CID 174289429
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazole-5-carboxamide
CID 141064167
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
2-hydroxy-3-(2-methyl-4-pyridinyl)benzamide
CID 151221470
2-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)benzamide
CID 174460775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide?
The IUPAC name of 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide (CID 175242210) is 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide?
The canonical SMILES for 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide is CNC(=O)Cc1cn(-c2ccccc2)c(-c2c(C(N)=O)cccc2-c2ccncc2)n1.
What is the InChIKey of 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide?
The InChIKey is QUPZEYJBCJIAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-26-21(30)14-17-15-29(18-6-3-2-4-7-18)24(28-17)22-19(16-10-12-27-13-11-16)8-5-9-20(22)23(25)31/h2-13,15H,14H2,1H3,(H2,25,31)(H,26,30).
What are the key properties of 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide?
2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide has a molecular weight of 411.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide is sourced from PubChem (CID 175242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).