3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one

C19H13BrN2O2 — CID 11639518

IUPAC3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one
SMILESO=c1c([C@H](c2ccc(Br)cc2)n2ccnc2)coc2ccccc12
InChIInChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1
InChIKeyCRDMIHRISHLNPC-SFHVURJKSA-N
MW381.23 g/mol
LogP4.39
Rot. Bonds3

About 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one

3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one (PubChem CID 11639518) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one.

Molecular Properties

Compound Name3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one
PubChem CID11639518
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one
SMILESO=c1c([C@H](c2ccc(Br)cc2)n2ccnc2)coc2ccccc12
InChIInChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1
InChIKeyCRDMIHRISHLNPC-SFHVURJKSA-N
XLogP4.39
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one?
The IUPAC name of 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one (CID 11639518) is 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one.
What is the SMILES notation for 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one?
The canonical SMILES for 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one is O=c1c([C@H](c2ccc(Br)cc2)n2ccnc2)coc2ccccc12.
What is the InChIKey of 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one?
The InChIKey is CRDMIHRISHLNPC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c20-14-7-5-13(6-8-14)18(22-10-9-21-12-22)16-11-24-17-4-2-1-3-15(17)19(16)23/h1-12,18H/t18-/m0/s1.
What are the key properties of 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one?
3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one has a molecular weight of 381.23 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(4-bromophenyl)-imidazol-1-ylmethyl]chromen-4-one is sourced from PubChem (CID 11639518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).