N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide

C22H25N3O2 — CID 37425289

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)15-27-21-5-3-4-20(12-21)22(26)24-13-18-6-8-19(9-7-18)14-25-11-10-23-16-25/h3-12,16-17H,13-15H2,1-2H3,(H,24,26)
InChIKeyYNBYJPKAPDFALY-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.90
Rot. Bonds8

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide (PubChem CID 37425289) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
PubChem CID37425289
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-17(2)15-27-21-5-3-4-20(12-21)22(26)24-13-18-6-8-19(9-7-18)14-25-11-10-23-16-25/h3-12,16-17H,13-15H2,1-2H3,(H,24,26)
InChIKeyYNBYJPKAPDFALY-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451
4-butoxy-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859104
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
3-(2-methylpropoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108749130
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 100546059
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]benzamide;hydrochloride
CID 119751160

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide (CID 37425289) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is YNBYJPKAPDFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(2)15-27-21-5-3-4-20(12-21)22(26)24-13-18-6-8-19(9-7-18)14-25-11-10-23-16-25/h3-12,16-17H,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 37425289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).