N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide

C21H31N3O — CID 130455657

IUPACN-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide
SMILESCc1ccc(-c2cnc([C@@H](N(C)C(=O)C(C)(C)C)C(C)(C)C)[nH]2)cc1
InChIInChI=1S/C21H31N3O/c1-14-9-11-15(12-10-14)16-13-22-18(23-16)17(20(2,3)4)24(8)19(25)21(5,6)7/h9-13,17H,1-8H3,(H,22,23)/t17-/m1/s1
InChIKeyHNPKYYHQLKJICH-QGZVFWFLSA-N
MW341.50 g/mol
LogP4.98
Rot. Bonds3

About N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide

N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide (PubChem CID 130455657) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide
PubChem CID130455657
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide
SMILESCc1ccc(-c2cnc([C@@H](N(C)C(=O)C(C)(C)C)C(C)(C)C)[nH]2)cc1
InChIInChI=1S/C21H31N3O/c1-14-9-11-15(12-10-14)16-13-22-18(23-16)17(20(2,3)4)24(8)19(25)21(5,6)7/h9-13,17H,1-8H3,(H,22,23)/t17-/m1/s1
InChIKeyHNPKYYHQLKJICH-QGZVFWFLSA-N
XLogP4.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[(1S)-1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamic acid
CID 67214295
tert-butyl 4-methyl-3-[5-[4-[4-[2-[4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentanoate
CID 123634840
tert-butyl 2-[[1-[5-[4-[4-[2-[2,2-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoacetate
CID 123955474
[3,3-dimethyl-2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]butyl]carbamic acid
CID 69443380
N-[(1S)-1-[5-[2-[4-[2-[(1S)-1-(dimethylamino)ethyl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]propyl]-N-methylacetamide
CID 143630842
2-hydroxy-N-[1-[5-[4-[4-[2-[1-[[2-hydroxy-2-(1-methylcyclopropyl)propanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]-2-(1-methylcyclopropyl)propanamide
CID 123863270
2-[[1-[5-[4-[4-[2-(1-acetamido-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoacetic acid
CID 134570895
[(1S)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 141368702
1-[5-[4-[2-[4-[2-(1-amino-2,2-dimethylpropyl)-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropan-1-amine
CID 123380486
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116878737
2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
CID 175302356

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide (CID 130455657) is N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide is Cc1ccc(-c2cnc([C@@H](N(C)C(=O)C(C)(C)C)C(C)(C)C)[nH]2)cc1.
What is the InChIKey of N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide?
The InChIKey is HNPKYYHQLKJICH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O/c1-14-9-11-15(12-10-14)16-13-22-18(23-16)17(20(2,3)4)24(8)19(25)21(5,6)7/h9-13,17H,1-8H3,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide?
N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide has a molecular weight of 341.50 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethyl-1-[5-(4-methylphenyl)-1H-imidazol-2-yl]propyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 130455657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).