2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C30H29N3O2 — CID 32735745

IUPAC2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C30H29N3O2/c1-22(15-16-23-9-3-2-4-10-23)31-30(34)20-33-28-14-8-7-13-27(28)32-29(33)21-35-26-18-17-24-11-5-6-12-25(24)19-26/h2-14,17-19,22H,15-16,20-21H2,1H3,(H,31,34)/t22-/m1/s1
InChIKeyVXWKOOHQGAPFHE-JOCHJYFZSA-N
MW463.58 g/mol
LogP5.91
Rot. Bonds9

About 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 32735745) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID32735745
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C30H29N3O2/c1-22(15-16-23-9-3-2-4-10-23)31-30(34)20-33-28-14-8-7-13-27(28)32-29(33)21-35-26-18-17-24-11-5-6-12-25(24)19-26/h2-14,17-19,22H,15-16,20-21H2,1H3,(H,31,34)/t22-/m1/s1
InChIKeyVXWKOOHQGAPFHE-JOCHJYFZSA-N
XLogP5.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032304
N-benzyl-N-methyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999316
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
N,N-bis(2-methylpropyl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 16999311
N-cyclohexyl-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032294
2-(2-benzylbenzimidazol-1-yl)-N-butan-2-ylacetamide
CID 17032336
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
2-[2-(phenoxymethyl)benzimidazol-1-yl]-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 25346259
N-(1-amino-4-methylpentan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119586379
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
CID 16999333
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 32735745) is 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is VXWKOOHQGAPFHE-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-22(15-16-23-9-3-2-4-10-23)31-30(34)20-33-28-14-8-7-13-27(28)32-29(33)21-35-26-18-17-24-11-5-6-12-25(24)19-26/h2-14,17-19,22H,15-16,20-21H2,1H3,(H,31,34)/t22-/m1/s1.
What are the key properties of 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 32735745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).