2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide

C20H22N4O — CID 56788413

IUPAC2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(CN(Cc2ccccn2)C(=O)C(C)n2ccnc2)c1
InChIInChI=1S/C20H22N4O/c1-16-6-5-7-18(12-16)13-24(14-19-8-3-4-9-22-19)20(25)17(2)23-11-10-21-15-23/h3-12,15,17H,13-14H2,1-2H3
InChIKeyAXHQBFYBEZNIJD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.38
Rot. Bonds6

About 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide

2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 56788413) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID56788413
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cccc(CN(Cc2ccccn2)C(=O)C(C)n2ccnc2)c1
InChIInChI=1S/C20H22N4O/c1-16-6-5-7-18(12-16)13-24(14-19-8-3-4-9-22-19)20(25)17(2)23-11-10-21-15-23/h3-12,15,17H,13-14H2,1-2H3
InChIKeyAXHQBFYBEZNIJD-UHFFFAOYSA-N
XLogP3.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[(3-methylphenyl)methyl]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 119878011
4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
CID 119878034
(2R)-2-imidazol-1-yl-N-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 51591899
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
2-methyl-N-(pyridin-2-ylmethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 75379624
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
3-[(3-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982668
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
(2S)-2-imidazol-1-yl-N-methyl-N-[(2-phenylphenyl)methyl]propanamide
CID 95284747
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide (CID 56788413) is 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide is Cc1cccc(CN(Cc2ccccn2)C(=O)C(C)n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is AXHQBFYBEZNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-6-5-7-18(12-16)13-24(14-19-8-3-4-9-22-19)20(25)17(2)23-11-10-21-15-23/h3-12,15,17H,13-14H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide?
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 56788413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).