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

C27H23N3O3 — CID 17032268

IUPACN-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C27H23N3O3/c1-32-21-15-13-20(14-16-21)28-27(31)17-30-24-11-5-4-10-23(24)29-26(30)18-33-25-12-6-8-19-7-2-3-9-22(19)25/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyRLICOSSNIZNGEF-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.42
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 17032268) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
PubChem CID17032268
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C27H23N3O3/c1-32-21-15-13-20(14-16-21)28-27(31)17-30-24-11-5-4-10-23(24)29-26(30)18-33-25-12-6-8-19-7-2-3-9-22(19)25/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyRLICOSSNIZNGEF-UHFFFAOYSA-N
XLogP5.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17031925
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-(2,5-dimethylphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032273
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-(3-bromophenyl)-2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031923
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide (CID 17032268) is N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is RLICOSSNIZNGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-32-21-15-13-20(14-16-21)28-27(31)17-30-24-11-5-4-10-23(24)29-26(30)18-33-25-12-6-8-19-7-2-3-9-22(19)25/h2-16H,17-18H2,1H3,(H,28,31).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17032268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).