4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide

C19H28N4O — CID 135110929

IUPAC4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-8-6-15(7-9-16)18(24)23(11-10-22(4)5)13-17-12-20-14-21-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,20,21)
InChIKeyYXIBRGIYWBJBEJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.91
Rot. Bonds6

About 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide

4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide (PubChem CID 135110929) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
PubChem CID135110929
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-8-6-15(7-9-16)18(24)23(11-10-22(4)5)13-17-12-20-14-21-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,20,21)
InChIKeyYXIBRGIYWBJBEJ-UHFFFAOYSA-N
XLogP2.91
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 135112173
3-chloro-N-[2-(dimethylamino)ethyl]-4-ethoxy-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135092811
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2,4,5-trimethylbenzamide;formic acid
CID 154918377
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
CID 135099244
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;formic acid
CID 171321506
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-1-methylcyclopentane-1-carboxamide
CID 135094657
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
CID 135102264
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 135106056
4-tert-butyl-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]benzamide
CID 135092744
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154916583
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(4-propylphenyl)benzamide
CID 135115238

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide (CID 135110929) is 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide is CN(C)CCN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide?
The InChIKey is YXIBRGIYWBJBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-19(2,3)16-8-6-15(7-9-16)18(24)23(11-10-22(4)5)13-17-12-20-14-21-17/h6-9,12,14H,10-11,13H2,1-5H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide?
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide is sourced from PubChem (CID 135110929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).