N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide

C16H22N4O — CID 95563254

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2nc[nH]c2C)N(C)C)c1
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-13(8-11)14(20(3)4)9-17-16(21)15-12(2)18-10-19-15/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyUDKHMGOFOZLIIX-CQSZACIVSA-N
MW286.38 g/mol
LogP2.06
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 95563254) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
PubChem CID95563254
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2nc[nH]c2C)N(C)C)c1
InChIInChI=1S/C16H22N4O/c1-11-6-5-7-13(8-11)14(20(3)4)9-17-16(21)15-12(2)18-10-19-15/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1
InChIKeyUDKHMGOFOZLIIX-CQSZACIVSA-N
XLogP2.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122564762
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125443881
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide (CID 95563254) is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide is Cc1cccc([C@@H](CNC(=O)c2nc[nH]c2C)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is UDKHMGOFOZLIIX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-6-5-7-13(8-11)14(20(3)4)9-17-16(21)15-12(2)18-10-19-15/h5-8,10,14H,9H2,1-4H3,(H,17,21)(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 95563254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).