N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide

C20H21N3O3 — CID 42916141

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-14(15-4-6-16(7-5-15)23-11-10-21-13-23)22-20(24)18-12-17(25-2)8-9-19(18)26-3/h4-14H,1-3H3,(H,22,24)
InChIKeyHVLALNUTILZKDG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide (PubChem CID 42916141) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
PubChem CID42916141
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-14(15-4-6-16(7-5-15)23-11-10-21-13-23)22-20(24)18-12-17(25-2)8-9-19(18)26-3/h4-14H,1-3H3,(H,22,24)
InChIKeyHVLALNUTILZKDG-UHFFFAOYSA-N
XLogP3.38
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18112945
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533466
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 32660252
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[2-[1-(4-imidazol-1-ylphenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 24980500
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide (CID 42916141) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide?
The InChIKey is HVLALNUTILZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(15-4-6-16(7-5-15)23-11-10-21-13-23)22-20(24)18-12-17(25-2)8-9-19(18)26-3/h4-14H,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 42916141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).