N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide

C19H19N3O3 — CID 5301742

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-24-17-9-15(10-18(11-17)25-2)19(23)21-16-5-3-14(4-6-16)12-22-8-7-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyAWPWAIYLMRFFDN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.20
Rot. Bonds6

About N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide

N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 5301742) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID5301742
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C19H19N3O3/c1-24-17-9-15(10-18(11-17)25-2)19(23)21-16-5-3-14(4-6-16)12-22-8-7-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyAWPWAIYLMRFFDN-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 24788727
N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
N-(3-Imidazol-1-yl-propyl)-3,5-dimethoxy-benzamide
CID 4098737
3,5-dimethoxy-N-[4-(1H-pyrrol-1-yl)benzyl]benzamide
CID 4919620
2-(4-Dodecyl-imidazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10697612
3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-N-phenyl-benzamide
CID 21696999
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
CID 52935148
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 66791090
N-[3-(1H-Imidazol-1-yl)propyl]-2-(4-methoxybenzamido)benzamide
CID 2883729
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 4789127
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,4-dimethoxybenzamide
CID 5302246
3,5-dimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 6456763

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide (CID 5301742) is N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is AWPWAIYLMRFFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-17-9-15(10-18(11-17)25-2)19(23)21-16-5-3-14(4-6-16)12-22-8-7-20-13-22/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 5301742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).