4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide

C21H24N4O — CID 95783170

IUPAC4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-24(2)18-11-9-17(10-12-18)21(26)23-19(16-7-5-4-6-8-16)15-20-22-13-14-25(20)3/h4-14,19H,15H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyXECNXMZCYABFKV-LJQANCHMSA-N
MW348.45 g/mol
LogP3.20
Rot. Bonds6

About 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide

4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide (PubChem CID 95783170) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
PubChem CID95783170
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-24(2)18-11-9-17(10-12-18)21(26)23-19(16-7-5-4-6-8-16)15-20-22-13-14-25(20)3/h4-14,19H,15H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyXECNXMZCYABFKV-LJQANCHMSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95782251
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
ethyl N-methyl-N-[4-[[2-[[2-(1-methylimidazol-2-yl)-1-phenylethyl]amino]-2-oxoacetyl]amino]phenyl]carbamate
CID 71869475
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25358395
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 51952153
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide (CID 95783170) is 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide is CN(C)c1ccc(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
The InChIKey is XECNXMZCYABFKV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)18-11-9-17(10-12-18)21(26)23-19(16-7-5-4-6-8-16)15-20-22-13-14-25(20)3/h4-14,19H,15H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide?
4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide is sourced from PubChem (CID 95783170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).