N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

C28H33N3O2 — CID 16999427

IUPACN,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C28H33N3O2/c1-20(2)16-30(17-21(3)4)28(32)18-31-25-14-8-7-13-24(25)29-27(31)19-33-26-15-9-11-22-10-5-6-12-23(22)26/h5-15,20-21H,16-19H2,1-4H3
InChIKeyCDJFOISRTMGSJU-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.91
Rot. Bonds9

About N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 16999427) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID16999427
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(C)CN(CC(C)C)C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21
InChIInChI=1S/C28H33N3O2/c1-20(2)16-30(17-21(3)4)28(32)18-31-25-14-8-7-13-24(25)29-27(31)19-33-26-15-9-11-22-10-5-6-12-23(22)26/h5-15,20-21H,16-19H2,1-4H3
InChIKeyCDJFOISRTMGSJU-UHFFFAOYSA-N
XLogP5.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-benzyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 16999447
1-(2-methylpropyl)-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 962244
N-cyclohexyl-N-methyl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999431
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
1-morpholin-4-yl-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999437
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032268
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (CID 16999427) is N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is CC(C)CN(CC(C)C)C(=O)Cn1c(COc2cccc3ccccc23)nc2ccccc21.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is CDJFOISRTMGSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-20(2)16-30(17-21(3)4)28(32)18-31-25-14-8-7-13-24(25)29-27(31)19-33-26-15-9-11-22-10-5-6-12-23(22)26/h5-15,20-21H,16-19H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16999427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).