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

C22H21N3O2 — CID 17005950

IUPACN-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c1-16(26)23-15-22-24-19-10-4-5-11-20(19)25(22)13-14-27-21-12-6-8-17-7-2-3-9-18(17)21/h2-12H,13-15H2,1H3,(H,23,26)
InChIKeyAVKWDOIAPPRVPO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.90
Rot. Bonds6

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

N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide (PubChem CID 17005950) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
PubChem CID17005950
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c1-16(26)23-15-22-24-19-10-4-5-11-20(19)25(22)13-14-27-21-12-6-8-17-7-2-3-9-18(17)21/h2-12H,13-15H2,1H3,(H,23,26)
InChIKeyAVKWDOIAPPRVPO-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966571
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
CID 17005933
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974766
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359
4-bromo-N-[[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17009240
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
3-bromo-N-[[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008150
N-[[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]methyl]acetamide
CID 17005978
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide (CID 17005950) is N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide is CC(=O)NCc1nc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide?
The InChIKey is AVKWDOIAPPRVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(26)23-15-22-24-19-10-4-5-11-20(19)25(22)13-14-27-21-12-6-8-17-7-2-3-9-18(17)21/h2-12H,13-15H2,1H3,(H,23,26).
What are the key properties of N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide?
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17005950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).