N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide

C21H24N4O — CID 110429573

IUPACN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccc(N(C)C)cc2)c2nccn2C)c1
InChIInChI=1S/C21H24N4O/c1-15-6-5-7-17(14-15)21(26)23-19(20-22-12-13-25(20)4)16-8-10-18(11-9-16)24(2)3/h5-14,19H,1-4H3,(H,23,26)
InChIKeyUNMJEHIFGQCEFW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide

N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide (PubChem CID 110429573) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
PubChem CID110429573
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(c2ccc(N(C)C)cc2)c2nccn2C)c1
InChIInChI=1S/C21H24N4O/c1-15-6-5-7-17(14-15)21(26)23-19(20-22-12-13-25(20)4)16-8-10-18(11-9-16)24(2)3/h5-14,19H,1-4H3,(H,23,26)
InChIKeyUNMJEHIFGQCEFW-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

4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
CID 110429514
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444818
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide (CID 110429573) is N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(c2ccc(N(C)C)cc2)c2nccn2C)c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide?
The InChIKey is UNMJEHIFGQCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-6-5-7-17(14-15)21(26)23-19(20-22-12-13-25(20)4)16-8-10-18(11-9-16)24(2)3/h5-14,19H,1-4H3,(H,23,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide?
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide 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 N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 110429573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).