2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

C15H21N3O3 — CID 103712179

IUPAC2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(20,7-8-21-2)10-16-14(19)9-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyCJZSABLYSANOES-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide

2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (PubChem CID 103712179) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
PubChem CID103712179
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
SMILESCOCCC(C)(O)CNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-15(20,7-8-21-2)10-16-14(19)9-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19)
InChIKeyCJZSABLYSANOES-UHFFFAOYSA-N
XLogP0.94
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103681678
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]acetamide
CID 121137385
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288
O-methyl 2-(benzimidazol-1-yl)ethanethioate
CID 88781568
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide (CID 103712179) is 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is COCCC(C)(O)CNC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
The InChIKey is CJZSABLYSANOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(20,7-8-21-2)10-16-14(19)9-18-11-17-12-5-3-4-6-13(12)18/h3-6,11,20H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide?
2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide is sourced from PubChem (CID 103712179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).