2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane

C43H42Br4Cl3N12O4PS2 — CID 161367357

IUPAC2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane
SMILESBrP(Br)Br.C.Cc1cc(=O)[nH]c(=S)[nH]1.Cc1cc(=O)[nH]c(SCc2nc3ccccn3c2Cl)n1.Clc1c(CBr)nc2ccccn12.OCc1cn2ccccc2n1.OCc1nc2ccccn2c1Cl
InChIInChI=1S/C13H11ClN4OS.C8H6BrClN2.C8H7ClN2O.C8H8N2O.C5H6N2OS.CH4.Br3P/c1-8-6-11(19)17-13(15-8)20-7-9-12(14)18-5-3-2-4-10(18)16-9;9-5-6-8(10)12-4-2-1-3-7(12)11-6;9-8-6(5-12)10-7-3-1-2-4-11(7)8;11-6-7-5-10-4-2-1-3-8(10)9-7;1-3-2-4(8)7-5(9)6-3;;1-4(2)3/h2-6H,7H2,1H3,(H,15,17,19);1-4H,5H2;1-4,12H,5H2;1-5,11H,6H2;2H,1H3,(H2,6,7,8,9);1H4;
InChIKeyVPZIZYZMFBGVLO-UHFFFAOYSA-N
MW1311.97 g/mol
LogP12.64
Rot. Bonds6

About 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane

2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane (PubChem CID 161367357) has the molecular formula C43H42Br4Cl3N12O4PS2 and a molecular weight of 1311.97 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane
PubChem CID161367357
Molecular FormulaC43H42Br4Cl3N12O4PS2
Molecular Weight1311.97 g/mol
Exact Mass1305.84
IUPAC Name2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane
SMILESBrP(Br)Br.C.Cc1cc(=O)[nH]c(=S)[nH]1.Cc1cc(=O)[nH]c(SCc2nc3ccccn3c2Cl)n1.Clc1c(CBr)nc2ccccn12.OCc1cn2ccccc2n1.OCc1nc2ccccn2c1Cl
InChIInChI=1S/C13H11ClN4OS.C8H6BrClN2.C8H7ClN2O.C8H8N2O.C5H6N2OS.CH4.Br3P/c1-8-6-11(19)17-13(15-8)20-7-9-12(14)18-5-3-2-4-10(18)16-9;9-5-6-8(10)12-4-2-1-3-7(12)11-6;9-8-6(5-12)10-7-3-1-2-4-11(7)8;11-6-7-5-10-4-2-1-3-8(10)9-7;1-3-2-4(8)7-5(9)6-3;;1-4(2)3/h2-6H,7H2,1H3,(H,15,17,19);1-4H,5H2;1-4,12H,5H2;1-5,11H,6H2;2H,1H3,(H2,6,7,8,9);1H4;
InChIKeyVPZIZYZMFBGVLO-UHFFFAOYSA-N
XLogP12.64
TPSA204.06 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.97
LogP ≤ 512.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane with MolForge

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Related Compounds

CID 158186874
CID 158186874
CID 159280820
CID 159280820
2-(bromomethyl)imidazo[1,2-a]pyridine;ethyl imidazo[1,2-a]pyridine-2-carboxylate;imidazo[1,2-a]pyridin-2-ylmethanol;2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 159647070
3-(bromomethyl)-2-chloroimidazo[1,2-a]pyridine;(2-chloroimidazo[1,2-a]pyridin-3-yl)methanol;2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 160406745
3-(bromomethyl)-2-methylideneimidazo[1,2-a]pyridin-4-ium;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;(2-methylimidazo[1,2-a]pyridin-3-yl)methanol;4-methyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 160541519
3-(bromomethyl)-2-methylimidazo[1,2-a]pyridine;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;(2-methylimidazo[1,2-a]pyridin-3-yl)methanol;4-methyl-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]-1H-pyrimidin-6-one;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 161437672

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane?
The IUPAC name of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane (CID 161367357) is 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane.
What is the SMILES notation for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane?
The canonical SMILES for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane is BrP(Br)Br.C.Cc1cc(=O)[nH]c(=S)[nH]1.Cc1cc(=O)[nH]c(SCc2nc3ccccn3c2Cl)n1.Clc1c(CBr)nc2ccccn12.OCc1cn2ccccc2n1.OCc1nc2ccccn2c1Cl.
What is the InChIKey of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane?
The InChIKey is VPZIZYZMFBGVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS.C8H6BrClN2.C8H7ClN2O.C8H8N2O.C5H6N2OS.CH4.Br3P/c1-8-6-11(19)17-13(15-8)20-7-9-12(14)18-5-3-2-4-10(18)16-9;9-5-6-8(10)12-4-2-1-3-7(12)11-6;9-8-6(5-12)10-7-3-1-2-4-11(7)8;11-6-7-5-10-4-2-1-3-8(10)9-7;1-3-2-4(8)7-5(9)6-3;;1-4(2)3/h2-6H,7H2,1H3,(H,15,17,19);1-4H,5H2;1-4,12H,5H2;1-5,11H,6H2;2H,1H3,(H2,6,7,8,9);1H4;.
What are the key properties of 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane?
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane has a molecular weight of 1311.97 g/mol, XLogP of 12.64, 6 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine;(3-chloroimidazo[1,2-a]pyridin-2-yl)methanol;2-[(3-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridin-2-ylmethanol;methane;6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;tribromophosphane is sourced from PubChem (CID 161367357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).