4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide

C13H14ClN3O — CID 55206350

IUPAC4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H14ClN3O/c14-7-1-2-13(18)17-11-5-3-10(4-6-11)12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)
InChIKeyKEOVOPHADAAGNO-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.03
Rot. Bonds5

About 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide

4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (PubChem CID 55206350) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
PubChem CID55206350
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
SMILESO=C(CCCCl)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C13H14ClN3O/c14-7-1-2-13(18)17-11-5-3-10(4-6-11)12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)
InChIKeyKEOVOPHADAAGNO-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1H-imidazol-5-yl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302307
2-(3-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668471
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
2-(4-ethoxyphenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668432
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[4-(1H-imidazol-5-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110668475
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 62733559
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 43709091
6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62232925
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide (CID 55206350) is 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is O=C(CCCCl)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
The InChIKey is KEOVOPHADAAGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-7-1-2-13(18)17-11-5-3-10(4-6-11)12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide?
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide has a molecular weight of 263.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 55206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).