7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol

C28H21Br2ClN4O — CID 157427300

IUPAC7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
SMILESClCc1c(-c2ccccc2)nc2cc(Br)ccn12.OCc1c(-c2ccccc2)nc2cc(Br)ccn12
InChIInChI=1S/C14H10BrClN2.C14H11BrN2O/c15-11-6-7-18-12(9-16)14(17-13(18)8-11)10-4-2-1-3-5-10;15-11-6-7-17-12(9-18)14(16-13(17)8-11)10-4-2-1-3-5-10/h1-8H,9H2;1-8,18H,9H2
InChIKeyBQCMEDFFKLGYLB-UHFFFAOYSA-N
MW624.76 g/mol
LogP7.76
Rot. Bonds4

About 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol

7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol (PubChem CID 157427300) has the molecular formula C28H21Br2ClN4O and a molecular weight of 624.76 g/mol. Its IUPAC name is 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol.

Molecular Properties

Compound Name7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
PubChem CID157427300
Molecular FormulaC28H21Br2ClN4O
Molecular Weight624.76 g/mol
Exact Mass621.98
IUPAC Name7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
SMILESClCc1c(-c2ccccc2)nc2cc(Br)ccn12.OCc1c(-c2ccccc2)nc2cc(Br)ccn12
InChIInChI=1S/C14H10BrClN2.C14H11BrN2O/c15-11-6-7-18-12(9-16)14(17-13(18)8-11)10-4-2-1-3-5-10;15-11-6-7-17-12(9-18)14(16-13(17)8-11)10-4-2-1-3-5-10/h1-8H,9H2;1-8,18H,9H2
InChIKeyBQCMEDFFKLGYLB-UHFFFAOYSA-N
XLogP7.76
TPSA54.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.76
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
[2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82530079
(2-phenylimidazo[1,2-a]pyrazin-3-yl)methanol
CID 84790042
2-(2,7-diphenylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 175016259
4-bromo-2-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 71295574
(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)methanol
CID 39132836
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
(7-bromo-3-chloroimidazo[1,2-a]pyridin-2-yl)methanol
CID 156822587
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
7-(chloromethyl)-3-methyl-2-phenylimidazo[1,2-a]pyridine
CID 82064406
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol?
The IUPAC name of 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol (CID 157427300) is 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol.
What is the SMILES notation for 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol?
The canonical SMILES for 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol is ClCc1c(-c2ccccc2)nc2cc(Br)ccn12.OCc1c(-c2ccccc2)nc2cc(Br)ccn12.
What is the InChIKey of 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol?
The InChIKey is BQCMEDFFKLGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2.C14H11BrN2O/c15-11-6-7-18-12(9-16)14(17-13(18)8-11)10-4-2-1-3-5-10;15-11-6-7-17-12(9-18)14(16-13(17)8-11)10-4-2-1-3-5-10/h1-8H,9H2;1-8,18H,9H2.
What are the key properties of 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol?
7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol has a molecular weight of 624.76 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(chloromethyl)-2-phenylimidazo[1,2-a]pyridine;(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)methanol is sourced from PubChem (CID 157427300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).