N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide

C17H17ClN4O2 — CID 167992276

IUPACN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide
SMILESO=C(NCCn1cnc2cc(Cl)ccc21)C(O)Cc1ccccn1
InChIInChI=1S/C17H17ClN4O2/c18-12-4-5-15-14(9-12)21-11-22(15)8-7-20-17(24)16(23)10-13-3-1-2-6-19-13/h1-6,9,11,16,23H,7-8,10H2,(H,20,24)
InChIKeyDCAHAGDUEJLHHR-UHFFFAOYSA-N
MW344.80 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide

N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide (PubChem CID 167992276) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide
PubChem CID167992276
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide
SMILESO=C(NCCn1cnc2cc(Cl)ccc21)C(O)Cc1ccccn1
InChIInChI=1S/C17H17ClN4O2/c18-12-4-5-15-14(9-12)21-11-22(15)8-7-20-17(24)16(23)10-13-3-1-2-6-19-13/h1-6,9,11,16,23H,7-8,10H2,(H,20,24)
InChIKeyDCAHAGDUEJLHHR-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110204340
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-(5,6-difluorobenzimidazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62564103
(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
CID 70412443
5-chloro-1-(3-methoxypropyl)benzimidazole
CID 46308557
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-(2-ethylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzimidazol-1-yl]ethyl]urea
CID 50846879
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998470
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47928469

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide (CID 167992276) is N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide is O=C(NCCn1cnc2cc(Cl)ccc21)C(O)Cc1ccccn1.
What is the InChIKey of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide?
The InChIKey is DCAHAGDUEJLHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-4-5-15-14(9-12)21-11-22(15)8-7-20-17(24)16(23)10-13-3-1-2-6-19-13/h1-6,9,11,16,23H,7-8,10H2,(H,20,24).
What are the key properties of N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide?
N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide has a molecular weight of 344.80 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-2-hydroxy-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 167992276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).