N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide

C13H15ClN4O — CID 16788832

IUPACN-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCn1ccnc1
InChIInChI=1S/C13H15ClN4O/c14-10-3-4-11(15)12(8-10)17-13(19)2-1-6-18-7-5-16-9-18/h3-5,7-9H,1-2,6,15H2,(H,17,19)
InChIKeyMWVPERZIMHKUFW-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.54
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide

N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide (PubChem CID 16788832) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
PubChem CID16788832
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCn1ccnc1
InChIInChI=1S/C13H15ClN4O/c14-10-3-4-11(15)12(8-10)17-13(19)2-1-6-18-7-5-16-9-18/h3-5,7-9H,1-2,6,15H2,(H,17,19)
InChIKeyMWVPERZIMHKUFW-UHFFFAOYSA-N
XLogP2.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
CID 80579081
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-5-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 16778792
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
4-amino-3-(3-imidazol-1-ylpropylamino)benzoic acid
CID 82784816
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide (CID 16788832) is N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide is Nc1ccc(Cl)cc1NC(=O)CCCn1ccnc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide?
The InChIKey is MWVPERZIMHKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-10-3-4-11(15)12(8-10)17-13(19)2-1-6-18-7-5-16-9-18/h3-5,7-9H,1-2,6,15H2,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide?
N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide has a molecular weight of 278.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 16788832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).