N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide

C25H23N3O — CID 37426840

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-17-20-11-13-21(14-12-20)18-28-16-15-26-19-28/h1-16,19,24H,17-18H2,(H,27,29)
InChIKeyIINRFETXEJHNNS-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.38
Rot. Bonds7

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide (PubChem CID 37426840) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
PubChem CID37426840
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-17-20-11-13-21(14-12-20)18-28-16-15-26-19-28/h1-16,19,24H,17-18H2,(H,27,29)
InChIKeyIINRFETXEJHNNS-UHFFFAOYSA-N
XLogP4.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 94029530
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenylbutan-1-amine
CID 119142083
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
2-(4-chlorophenyl)sulfanyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34906705
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-phenylphenoxy)propanamide
CID 47027170
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide (CID 37426840) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide is O=C(NCc1ccc(Cn2ccnc2)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
The InChIKey is IINRFETXEJHNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(24(22-7-3-1-4-8-22)23-9-5-2-6-10-23)27-17-20-11-13-21(14-12-20)18-28-16-15-26-19-28/h1-16,19,24H,17-18H2,(H,27,29).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 37426840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).