N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide

C22H25N3O3 — CID 134039597

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1C
InChIInChI=1S/C22H25N3O3/c1-16-19(27-2)13-18(14-20(16)28-3)22(26)24-10-9-21-23-11-12-25(21)15-17-7-5-4-6-8-17/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,26)
InChIKeyIHEXKCHVOKOBPA-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 134039597) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID134039597
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1C
InChIInChI=1S/C22H25N3O3/c1-16-19(27-2)13-18(14-20(16)28-3)22(26)24-10-9-21-23-11-12-25(21)15-17-7-5-4-6-8-17/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,26)
InChIKeyIHEXKCHVOKOBPA-UHFFFAOYSA-N
XLogP3.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-phenoxybenzamide
CID 25358093
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 86919898
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134039942
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (CID 134039597) is N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCCc2nccn2Cc2ccccc2)cc(OC)c1C.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is IHEXKCHVOKOBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-19(27-2)13-18(14-20(16)28-3)22(26)24-10-9-21-23-11-12-25(21)15-17-7-5-4-6-8-17/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 134039597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).