1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one

C15H19N3O — CID 114533349

IUPAC1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
SMILESCn1ccnc1CCC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H19N3O/c1-18-10-9-17-15(18)8-7-14(19)6-5-12-3-2-4-13(16)11-12/h2-4,9-11H,5-8,16H2,1H3
InChIKeySKQHQPJVWHKBQQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.14
Rot. Bonds6

About 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one

1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one (PubChem CID 114533349) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
PubChem CID114533349
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
SMILESCn1ccnc1CCC(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H19N3O/c1-18-10-9-17-15(18)8-7-14(19)6-5-12-3-2-4-13(16)11-12/h2-4,9-11H,5-8,16H2,1H3
InChIKeySKQHQPJVWHKBQQ-UHFFFAOYSA-N
XLogP2.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
3-(3-aminophenyl)-1-(1-methylimidazol-2-yl)propan-1-one
CID 82474092
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
6-hydroxy-1-(1-methylimidazol-2-yl)hexan-3-one
CID 106677652
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
3-[[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558685
2-(2-methylimidazol-1-yl)ethyl 3-(3-aminophenyl)propanoate
CID 80700549
1-(furan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529476
1-(2-chlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-one
CID 114529460
1-(2-methoxyethoxy)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 102927322
3-[(1-methylimidazol-2-yl)methoxy]aniline
CID 39201154
1-(7-bromo-1-benzofuran-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133836

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one?
The IUPAC name of 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one (CID 114533349) is 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one.
What is the SMILES notation for 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one?
The canonical SMILES for 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one is Cn1ccnc1CCC(=O)CCc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one?
The InChIKey is SKQHQPJVWHKBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-10-9-17-15(18)8-7-14(19)6-5-12-3-2-4-13(16)11-12/h2-4,9-11H,5-8,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one?
1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one is sourced from PubChem (CID 114533349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).