N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide

C26H25N3O2 — CID 47027170

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
SMILESO=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C26H25N3O2/c30-26(28-18-21-10-12-22(13-11-21)19-29-16-15-27-20-29)14-17-31-25-9-5-4-8-24(25)23-6-2-1-3-7-23/h1-13,15-16,20H,14,17-19H2,(H,28,30)
InChIKeyZGVWZLJYLOYDTA-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.68
Rot. Bonds9

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide (PubChem CID 47027170) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
PubChem CID47027170
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
SMILESO=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C26H25N3O2/c30-26(28-18-21-10-12-22(13-11-21)19-29-16-15-27-20-29)14-17-31-25-9-5-4-8-24(25)23-6-2-1-3-7-23/h1-13,15-16,20H,14,17-19H2,(H,28,30)
InChIKeyZGVWZLJYLOYDTA-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-4-(methylamino)butanamide
CID 119869593
3-cyclopentyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
CID 37426831
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
CID 58482968
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
CID 146370941
2-(2,5-dimethylphenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426607
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471
1-[(2-ethoxyphenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111881073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide (CID 47027170) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide is O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide?
The InChIKey is ZGVWZLJYLOYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-26(28-18-21-10-12-22(13-11-21)19-29-16-15-27-20-29)14-17-31-25-9-5-4-8-24(25)23-6-2-1-3-7-23/h1-13,15-16,20H,14,17-19H2,(H,28,30).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide has a molecular weight of 411.51 g/mol, XLogP of 4.68, 9 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-phenylphenoxy)propanamide is sourced from PubChem (CID 47027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).