2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide

C20H22N4O2 — CID 91785397

IUPAC2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C20H22N4O2/c25-16-10-15(11-16)18(9-14-5-7-21-8-6-14)23-20(26)12-24-13-22-17-3-1-2-4-19(17)24/h1-8,13,15-16,18,25H,9-12H2,(H,23,26)
InChIKeyKHNZUWSTKUBCIL-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.93
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide

2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide (PubChem CID 91785397) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
PubChem CID91785397
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C20H22N4O2/c25-16-10-15(11-16)18(9-14-5-7-21-8-6-14)23-20(26)12-24-13-22-17-3-1-2-4-19(17)24/h1-8,13,15-16,18,25H,9-12H2,(H,23,26)
InChIKeyKHNZUWSTKUBCIL-UHFFFAOYSA-N
XLogP1.93
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 91786219
3-(2-fluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]propanamide
CID 91766999
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
2-(benzimidazol-1-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279825
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 91777146
2-(1,3-benzodioxol-5-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide
CID 91761671
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242
2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 119100870
2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630853
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
CID 91764166

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide (CID 91785397) is 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide is O=C(Cn1cnc2ccccc21)NC(Cc1ccncc1)C1CC(O)C1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
The InChIKey is KHNZUWSTKUBCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-16-10-15(11-16)18(9-14-5-7-21-8-6-14)23-20(26)12-24-13-22-17-3-1-2-4-19(17)24/h1-8,13,15-16,18,25H,9-12H2,(H,23,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide?
2-(benzimidazol-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.93, 6 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-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 91785397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).