2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide

C17H26N4O2 — CID 42971097

IUPAC2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1c(NCC(C)O)nc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-4-13(5-2)19-16(23)11-21-15-9-7-6-8-14(15)20-17(21)18-10-12(3)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyCBMCYPZWHYIVTI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.13
Rot. Bonds8

About 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide

2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide (PubChem CID 42971097) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
PubChem CID42971097
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1c(NCC(C)O)nc2ccccc21
InChIInChI=1S/C17H26N4O2/c1-4-13(5-2)19-16(23)11-21-15-9-7-6-8-14(15)20-17(21)18-10-12(3)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyCBMCYPZWHYIVTI-UHFFFAOYSA-N
XLogP2.13
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 98595972
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971048
1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
CID 4781683
1-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]amino]propan-2-ol
CID 71920348

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide (CID 42971097) is 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1c(NCC(C)O)nc2ccccc21.
What is the InChIKey of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is CBMCYPZWHYIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-13(5-2)19-16(23)11-21-15-9-7-6-8-14(15)20-17(21)18-10-12(3)22/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,23).
What are the key properties of 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide?
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 42971097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).