3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide

C21H23N3O2 — CID 42641824

IUPAC3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-4-6-17(7-5-15)18-10-19(21(25)23-16(2)13-26-3)12-20(11-18)24-9-8-22-14-24/h4-12,14,16H,13H2,1-3H3,(H,23,25)
InChIKeyTWWVYADSMIEXDA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.61
Rot. Bonds6

About 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide

3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide (PubChem CID 42641824) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
PubChem CID42641824
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-4-6-17(7-5-15)18-10-19(21(25)23-16(2)13-26-3)12-20(11-18)24-9-8-22-14-24/h4-12,14,16H,13H2,1-3H3,(H,23,25)
InChIKeyTWWVYADSMIEXDA-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
N-(1-methoxypropan-2-yl)-3-methyl-5-(tetrazol-1-yl)benzamide
CID 143820171
3-[(E)-3-(dimethylamino)prop-2-enethioyl]-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 87106742
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
CID 90759463
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide?
The IUPAC name of 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide (CID 42641824) is 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide?
The canonical SMILES for 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide is COCC(C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide?
The InChIKey is TWWVYADSMIEXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-4-6-17(7-5-15)18-10-19(21(25)23-16(2)13-26-3)12-20(11-18)24-9-8-22-14-24/h4-12,14,16H,13H2,1-3H3,(H,23,25).
What are the key properties of 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide?
3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 42641824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).