N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide

C14H17ClN4O — CID 62351961

IUPACN-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(2)19(8-17-9)6-5-14(20)18-11-3-4-12(15)13(16)7-11/h3-4,7-8H,5-6,16H2,1-2H3,(H,18,20)
InChIKeyWPHWTCNEZOTQQY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.76
Rot. Bonds4

About N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide (PubChem CID 62351961) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
PubChem CID62351961
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide
SMILESCc1ncn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1C
InChIInChI=1S/C14H17ClN4O/c1-9-10(2)19(8-17-9)6-5-14(20)18-11-3-4-12(15)13(16)7-11/h3-4,7-8H,5-6,16H2,1-2H3,(H,18,20)
InChIKeyWPHWTCNEZOTQQY-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.76
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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide (CID 62351961) is N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide is Cc1ncn(CCC(=O)Nc2ccc(Cl)c(N)c2)c1C.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide?
The InChIKey is WPHWTCNEZOTQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-10(2)19(8-17-9)6-5-14(20)18-11-3-4-12(15)13(16)7-11/h3-4,7-8H,5-6,16H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide has a molecular weight of 292.77 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(4,5-dimethylimidazol-1-yl)propanamide is sourced from PubChem (CID 62351961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).