2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide

C17H24N4O3 — CID 17030013

IUPAC2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)NC(=O)COC)nc2ccccc21
InChIInChI=1S/C17H24N4O3/c1-4-9-18-15(22)10-21-14-8-6-5-7-13(14)20-17(21)12(2)19-16(23)11-24-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBWGUSMYOHKWIBC-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.39
Rot. Bonds8

About 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide

2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide (PubChem CID 17030013) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
PubChem CID17030013
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(C(C)NC(=O)COC)nc2ccccc21
InChIInChI=1S/C17H24N4O3/c1-4-9-18-15(22)10-21-14-8-6-5-7-13(14)20-17(21)12(2)19-16(23)11-24-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyBWGUSMYOHKWIBC-UHFFFAOYSA-N
XLogP1.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
N-(3,4-dimethylphenyl)-2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetamide
CID 17030051
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16969289
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
N-[(1S)-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 7025717
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
2-methoxy-N-[1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969177
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031181

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide (CID 17030013) is 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(C(C)NC(=O)COC)nc2ccccc21.
What is the InChIKey of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide?
The InChIKey is BWGUSMYOHKWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-9-18-15(22)10-21-14-8-6-5-7-13(14)20-17(21)12(2)19-16(23)11-24-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide?
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 17030013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).