N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide

C15H19N3O3 — CID 63929739

IUPACN-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(OC)c1C
InChIInChI=1S/C15H19N3O3/c1-10-12(20-3)7-11(8-13(10)21-4)15(19)18(2)9-14-16-5-6-17-14/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyNMNOMGXMONWWRQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.01
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide

N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide (PubChem CID 63929739) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
PubChem CID63929739
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(OC)c1C
InChIInChI=1S/C15H19N3O3/c1-10-12(20-3)7-11(8-13(10)21-4)15(19)18(2)9-14-16-5-6-17-14/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyNMNOMGXMONWWRQ-UHFFFAOYSA-N
XLogP2.01
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
3-(dimethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63928901
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
3-bromo-N-(1H-imidazol-2-ylmethyl)-2,5-dimethoxy-N-methylbenzamide
CID 63939460

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide (CID 63929739) is N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide is COc1cc(C(=O)N(C)Cc2ncc[nH]2)cc(OC)c1C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide?
The InChIKey is NMNOMGXMONWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-12(20-3)7-11(8-13(10)21-4)15(19)18(2)9-14-16-5-6-17-14/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide?
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide has a molecular weight of 289.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 63929739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).