N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide

C19H19N3O2 — CID 24650010

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-4-7-15(11-18)19(23)21-12-16-5-2-3-6-17(16)13-22-10-9-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyFQHKYFAFONHHDE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.87
Rot. Bonds6

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 24650010) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
PubChem CID24650010
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-8-4-7-15(11-18)19(23)21-12-16-5-2-3-6-17(16)13-22-10-9-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23)
InChIKeyFQHKYFAFONHHDE-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
3-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 9142461
N-[(2-ethyl-4-methoxyphenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
CID 167788715
3-(imidazol-1-ylmethyl)-N-[(4-methylthiophen-3-yl)methyl]benzamide
CID 154795295
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255
1-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111251598

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide (CID 24650010) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2ccccc2Cn2ccnc2)c1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is FQHKYFAFONHHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-8-4-7-15(11-18)19(23)21-12-16-5-2-3-6-17(16)13-22-10-9-20-14-22/h2-11,14H,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 24650010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).