5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

C12H11BrN2O — CID 169087997

IUPAC5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESBrc1cccc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-2-9-8(4-5-16-12(9)10)11-6-14-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyCDYNCVBGLQHJIS-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.09
Rot. Bonds1

About 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole

5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169087997) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
PubChem CID169087997
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
SMILESBrc1cccc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-2-9-8(4-5-16-12(9)10)11-6-14-7-15-11/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyCDYNCVBGLQHJIS-UHFFFAOYSA-N
XLogP3.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 16663246
5-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 24739463
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000
(8-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82387181
(3aS,10bS)-7-bromo-2,3,3a,4,5,10b-hexahydro-1H-[1]benzoxepino[4,5-c]pyrrole
CID 67167237
5-(5-isothiocyanato-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10422502
9-bromo-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512414
2-[[(4R)-8-bromo-3,4-dihydro-2H-chromen-4-yl]amino]acetamide
CID 100735665
(3aS,10bR)-7-bromo-1,3,3a,4,5,10b-hexahydro-[1]benzoxepino[4,5-c]pyrrole-2-carboxylic acid
CID 67167104
(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
CID 15868501

Frequently Asked Questions

What is the IUPAC name of 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole (CID 169087997) is 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is Brc1cccc2c1OCCC2c1cnc[nH]1.
What is the InChIKey of 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is CDYNCVBGLQHJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-3-1-2-9-8(4-5-16-12(9)10)11-6-14-7-15-11/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole?
5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 279.14 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromo-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169087997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).