2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one

C15H15N3O2 — CID 141023383

IUPAC2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one
SMILESO=c1cc(CCCNc2ncc[nH]2)oc2ccccc12
InChIInChI=1S/C15H15N3O2/c19-13-10-11(20-14-6-2-1-5-12(13)14)4-3-7-16-15-17-8-9-18-15/h1-2,5-6,8-10H,3-4,7H2,(H2,16,17,18)
InChIKeyMECQEJFBOCXVMK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.56
Rot. Bonds5

About 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one

2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one (PubChem CID 141023383) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one
PubChem CID141023383
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one
SMILESO=c1cc(CCCNc2ncc[nH]2)oc2ccccc12
InChIInChI=1S/C15H15N3O2/c19-13-10-11(20-14-6-2-1-5-12(13)14)4-3-7-16-15-17-8-9-18-15/h1-2,5-6,8-10H,3-4,7H2,(H2,16,17,18)
InChIKeyMECQEJFBOCXVMK-UHFFFAOYSA-N
XLogP2.56
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one?
The IUPAC name of 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one (CID 141023383) is 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one.
What is the SMILES notation for 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one?
The canonical SMILES for 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one is O=c1cc(CCCNc2ncc[nH]2)oc2ccccc12.
What is the InChIKey of 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one?
The InChIKey is MECQEJFBOCXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-13-10-11(20-14-6-2-1-5-12(13)14)4-3-7-16-15-17-8-9-18-15/h1-2,5-6,8-10H,3-4,7H2,(H2,16,17,18).
What are the key properties of 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one?
2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-ylamino)propyl]chromen-4-one is sourced from PubChem (CID 141023383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).