4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide

C21H24N4O — CID 166510499

IUPAC4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCN(C)Cc1cccc(-c2cn(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C21H24N4O/c1-24(2)14-18-9-6-10-19(13-18)20-15-25(16-23-20)21(26)22-12-11-17-7-4-3-5-8-17/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,22,26)
InChIKeyLUAMVALWPJVEKK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.41
Rot. Bonds6

About 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide

4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide (PubChem CID 166510499) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
PubChem CID166510499
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide
SMILESCN(C)Cc1cccc(-c2cn(C(=O)NCCc3ccccc3)cn2)c1
InChIInChI=1S/C21H24N4O/c1-24(2)14-18-9-6-10-19(13-18)20-15-25(16-23-20)21(26)22-12-11-17-7-4-3-5-8-17/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,22,26)
InChIKeyLUAMVALWPJVEKK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-phenylethyl)imidazole-1-carboxamide
CID 175765380
N-methyl-4-phenylimidazole-1-carboxamide
CID 66713962
N-(2-methyl-3-phenylpropyl)-4-pyridin-3-ylimidazole-1-carboxamide
CID 156708310
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
1-[2-(dimethylamino)ethyl]-1-[[3-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]-3-(2-phenylethyl)urea
CID 44534970
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
4-[4-[(3-morpholin-4-ylphenyl)methoxy]phenyl]-N-(4-phenylbutyl)imidazole-1-carboxamide
CID 167474015
4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 167679804
1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 46105456
4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 48798165
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708014

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The IUPAC name of 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide (CID 166510499) is 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide is CN(C)Cc1cccc(-c2cn(C(=O)NCCc3ccccc3)cn2)c1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
The InChIKey is LUAMVALWPJVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)14-18-9-6-10-19(13-18)20-15-25(16-23-20)21(26)22-12-11-17-7-4-3-5-8-17/h3-10,13,15-16H,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide?
4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]phenyl]-N-(2-phenylethyl)imidazole-1-carboxamide is sourced from PubChem (CID 166510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).