(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C12H12BrN3O2 — CID 71687155

IUPAC(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cnc2c1CN(C(=O)c1ccc(Br)o1)CC2
InChIInChI=1S/C12H12BrN3O2/c1-15-7-14-8-4-5-16(6-9(8)15)12(17)10-2-3-11(13)18-10/h2-3,7H,4-6H2,1H3
InChIKeyDGTFEJODKCYXGB-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.97
Rot. Bonds1

About (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 71687155) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID71687155
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCn1cnc2c1CN(C(=O)c1ccc(Br)o1)CC2
InChIInChI=1S/C12H12BrN3O2/c1-15-7-14-8-4-5-16(6-9(8)15)12(17)10-2-3-11(13)18-10/h2-3,7H,4-6H2,1H3
InChIKeyDGTFEJODKCYXGB-UHFFFAOYSA-N
XLogP1.97
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 71687155) is (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is Cn1cnc2c1CN(C(=O)c1ccc(Br)o1)CC2.
What is the InChIKey of (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is DGTFEJODKCYXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-15-7-14-8-4-5-16(6-9(8)15)12(17)10-2-3-11(13)18-10/h2-3,7H,4-6H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 310.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 71687155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).