N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide

C20H21N3O3 — CID 17473230

IUPACN-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
SMILESCOc1ccc(C(NC(=O)Cn2ccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)20(16-5-9-18(26-2)10-6-16)22-19(24)13-23-12-11-21-14-23/h3-12,14,20H,13H2,1-2H3,(H,22,24)
InChIKeyWHWLGUCTQLHGQN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds7

About N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide

N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide (PubChem CID 17473230) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
PubChem CID17473230
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide
SMILESCOc1ccc(C(NC(=O)Cn2ccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)20(16-5-9-18(26-2)10-6-16)22-19(24)13-23-12-11-21-14-23/h3-12,14,20H,13H2,1-2H3,(H,22,24)
InChIKeyWHWLGUCTQLHGQN-UHFFFAOYSA-N
XLogP2.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-imidazol-1-ylacetamide
CID 36795605
methyl (E)-2-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102231690
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
1-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 94871793
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-(2-hydroxy-5-methoxyphenyl)-2-imidazol-1-ylethanone
CID 134105125

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide (CID 17473230) is N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide is COc1ccc(C(NC(=O)Cn2ccnc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide?
The InChIKey is WHWLGUCTQLHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-7-3-15(4-8-17)20(16-5-9-18(26-2)10-6-16)22-19(24)13-23-12-11-21-14-23/h3-12,14,20H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide?
N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide has a molecular weight of 351.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 17473230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).