4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide

C21H24N4O — CID 110429568

IUPAC4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(N(C)C)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)19(20-22-13-14-25(20)4)23-21(26)17-9-11-18(12-10-17)24(2)3/h5-14,19H,1-4H3,(H,23,26)
InChIKeyKJSQLYXLZAUCOU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds5

About 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide

4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide (PubChem CID 110429568) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
PubChem CID110429568
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(N(C)C)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)19(20-22-13-14-25(20)4)23-21(26)17-9-11-18(12-10-17)24(2)3/h5-14,19H,1-4H3,(H,23,26)
InChIKeyKJSQLYXLZAUCOU-UHFFFAOYSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
CID 110429514
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide (CID 110429568) is 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide is Cc1ccc(C(NC(=O)c2ccc(N(C)C)cc2)c2nccn2C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide?
The InChIKey is KJSQLYXLZAUCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-7-16(8-6-15)19(20-22-13-14-25(20)4)23-21(26)17-9-11-18(12-10-17)24(2)3/h5-14,19H,1-4H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide?
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110429568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).