3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

C15H19N3O2 — CID 111445290

IUPAC3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCC1(O)CCC1
InChIInChI=1S/C15H19N3O2/c19-14(16-10-15(20)7-3-8-15)6-9-18-11-17-12-4-1-2-5-13(12)18/h1-2,4-5,11,20H,3,6-10H2,(H,16,19)
InChIKeyLTWRQUOTKDAWMX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 111445290) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID111445290
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCC1(O)CCC1
InChIInChI=1S/C15H19N3O2/c19-14(16-10-15(20)7-3-8-15)6-9-18-11-17-12-4-1-2-5-13(12)18/h1-2,4-5,11,20H,3,6-10H2,(H,16,19)
InChIKeyLTWRQUOTKDAWMX-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
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2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
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3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
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3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 111445290) is 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is O=C(CCn1cnc2ccccc21)NCC1(O)CCC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is LTWRQUOTKDAWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(16-10-15(20)7-3-8-15)6-9-18-11-17-12-4-1-2-5-13(12)18/h1-2,4-5,11,20H,3,6-10H2,(H,16,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 111445290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).