N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide

C30H27N3O — CID 16987485

IUPACN-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C30H27N3O/c1-32(21-24-10-4-2-5-11-24)30(34)22-33-28-15-9-8-14-27(28)31-29(33)20-23-16-18-26(19-17-23)25-12-6-3-7-13-25/h2-19H,20-22H2,1H3
InChIKeyNNRCPYKHWXNSPU-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.95
Rot. Bonds7

About N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide

N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16987485) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID16987485
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC NameN-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C30H27N3O/c1-32(21-24-10-4-2-5-11-24)30(34)22-33-28-15-9-8-14-27(28)31-29(33)20-23-16-18-26(19-17-23)25-12-6-3-7-13-25/h2-19H,20-22H2,1H3
InChIKeyNNRCPYKHWXNSPU-UHFFFAOYSA-N
XLogP5.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971531
N-[1-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971693
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
4-[[[2-(2-ethylbenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38746243
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 60600997
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-chlorophenyl)acetamide
CID 16979531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide (CID 16987485) is N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide is CN(Cc1ccccc1)C(=O)Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is NNRCPYKHWXNSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-32(21-24-10-4-2-5-11-24)30(34)22-33-28-15-9-8-14-27(28)31-29(33)20-23-16-18-26(19-17-23)25-12-6-3-7-13-25/h2-19H,20-22H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16987485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).