N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide

C23H21N3O — CID 166182166

IUPACN-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c1-25(22(27)16-26-17-24-20-14-8-9-15-21(20)26)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23H,16H2,1H3
InChIKeyWREFAJBHGVBJQA-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.28
Rot. Bonds5

About N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide

N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide (PubChem CID 166182166) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide
PubChem CID166182166
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21N3O/c1-25(22(27)16-26-17-24-20-14-8-9-15-21(20)26)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23H,16H2,1H3
InChIKeyWREFAJBHGVBJQA-UHFFFAOYSA-N
XLogP4.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99952062
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
2-(N-[2-(benzimidazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-phenylacetamide
CID 3202307
2-(benzimidazol-1-yl)-N-ethyl-N-(pyridin-2-ylmethyl)acetamide
CID 166221588
2-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 55881851

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide (CID 166182166) is N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide is CN(C(=O)Cn1cnc2ccccc21)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide?
The InChIKey is WREFAJBHGVBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-25(22(27)16-26-17-24-20-14-8-9-15-21(20)26)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,17,23H,16H2,1H3.
What are the key properties of N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide?
N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide has a molecular weight of 355.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 166182166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).