2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide

C16H23N3O2 — CID 16969160

IUPAC2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19-14-8-6-5-7-13(14)18-16(19)12(3)17-15(20)10-21-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20)
InChIKeyHDMCXXNQTFCAEA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds6

About 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide

2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16969160) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16969160
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)9-19-14-8-6-5-7-13(14)18-16(19)12(3)17-15(20)10-21-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20)
InChIKeyHDMCXXNQTFCAEA-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
CID 17030013
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16969289
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide (CID 16969160) is 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide is COCC(=O)NC(C)c1nc2ccccc2n1CC(C)C.
What is the InChIKey of 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is HDMCXXNQTFCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)9-19-14-8-6-5-7-13(14)18-16(19)12(3)17-15(20)10-21-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide?
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16969160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).