N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide

C17H24N4O2 — CID 135099244

IUPACN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)c1C
InChIInChI=1S/C17H24N4O2/c1-13-15(6-5-7-16(13)23-4)17(22)21(9-8-20(2)3)11-14-10-18-12-19-14/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyYWMOFYPXJYDDEL-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide (PubChem CID 135099244) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
PubChem CID135099244
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)c1C
InChIInChI=1S/C17H24N4O2/c1-13-15(6-5-7-16(13)23-4)17(22)21(9-8-20(2)3)11-14-10-18-12-19-14/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyYWMOFYPXJYDDEL-UHFFFAOYSA-N
XLogP1.93
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 135112173
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2,4,5-trimethylbenzamide;formic acid
CID 154918377
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135110929
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)-1-methylcyclopentane-1-carboxamide
CID 135094657
N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
CID 135102264
bis(3-methoxy-2-methylphenyl)methanone
CID 139698462
2-(3-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154917685
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 135106056
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154916583
N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2-phenylethoxy)benzamide
CID 135101944
3-methoxy-2-methylbenzohydrazide
CID 45091273

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide (CID 135099244) is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide?
The InChIKey is YWMOFYPXJYDDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-15(6-5-7-16(13)23-4)17(22)21(9-8-20(2)3)11-14-10-18-12-19-14/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide?
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide has a molecular weight of 316.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 135099244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).