N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

C27H29N3O2 — CID 16999431

IUPACN-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H29N3O2/c1-29(21-12-3-2-4-13-21)27(31)18-30-24-16-8-7-15-23(24)28-26(30)19-32-25-17-9-11-20-10-5-6-14-22(20)25/h5-11,14-17,21H,2-4,12-13,18-19H2,1H3
InChIKeyVAAAGPYNAYBXGG-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.56
Rot. Bonds6

About N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 16999431) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID16999431
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCN(C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C27H29N3O2/c1-29(21-12-3-2-4-13-21)27(31)18-30-24-16-8-7-15-23(24)28-26(30)19-32-25-17-9-11-20-10-5-6-14-22(20)25/h5-11,14-17,21H,2-4,12-13,18-19H2,1H3
InChIKeyVAAAGPYNAYBXGG-UHFFFAOYSA-N
XLogP5.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999427
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N-[[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969915
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119551273
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999437
N-benzyl-N-cyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997050
N-benzyl-N-cyclohexyl-2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 16998435
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (CID 16999431) is N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is CN(C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is VAAAGPYNAYBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-29(21-12-3-2-4-13-21)27(31)18-30-24-16-8-7-15-23(24)28-26(30)19-32-25-17-9-11-20-10-5-6-14-22(20)25/h5-11,14-17,21H,2-4,12-13,18-19H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).