N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide

C26H29N3O2 — CID 16996375

IUPACN,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C26H29N3O2/c1-5-28(6-2)25(30)17-29-24-10-8-7-9-23(24)27-26(29)18(3)19-11-12-21-16-22(31-4)14-13-20(21)15-19/h7-16,18H,5-6,17H2,1-4H3
InChIKeyDARCFRVDRLDTPR-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.22
Rot. Bonds7

About N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide

N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide (PubChem CID 16996375) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
PubChem CID16996375
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C26H29N3O2/c1-5-28(6-2)25(30)17-29-24-10-8-7-9-23(24)27-26(29)18(3)19-11-12-21-16-22(31-4)14-13-20(21)15-19/h7-16,18H,5-6,17H2,1-4H3
InChIKeyDARCFRVDRLDTPR-UHFFFAOYSA-N
XLogP5.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
N-cyclohexyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-methylacetamide
CID 16996383
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 18811211
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide (CID 16996375) is N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide is CCN(CC)C(=O)Cn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide?
The InChIKey is DARCFRVDRLDTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-5-28(6-2)25(30)17-29-24-10-8-7-9-23(24)27-26(29)18(3)19-11-12-21-16-22(31-4)14-13-20(21)15-19/h7-16,18H,5-6,17H2,1-4H3.
What are the key properties of N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide?
N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide has a molecular weight of 415.54 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16996375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).