N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide

C14H16ClN3O2 — CID 79200005

IUPACN-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-3-5-12(14(11)18-8-7-16-10-18)17-13(20)6-1-2-9-19/h3-5,7-8,10,19H,1-2,6,9H2,(H,17,20)
InChIKeyWAWURHBLTDSHQS-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.63
Rot. Bonds6

About N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide

N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide (PubChem CID 79200005) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
PubChem CID79200005
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C14H16ClN3O2/c15-11-4-3-5-12(14(11)18-8-7-16-10-18)17-13(20)6-1-2-9-19/h3-5,7-8,10,19H,1-2,6,9H2,(H,17,20)
InChIKeyWAWURHBLTDSHQS-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide?
The IUPAC name of N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide (CID 79200005) is N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide is O=C(CCCCO)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide?
The InChIKey is WAWURHBLTDSHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-4-3-5-12(14(11)18-8-7-16-10-18)17-13(20)6-1-2-9-19/h3-5,7-8,10,19H,1-2,6,9H2,(H,17,20).
What are the key properties of N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide?
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide has a molecular weight of 293.75 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79200005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).