6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine

C34H27Cl4N9O2 — CID 158188960

IUPAC6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1.Cn1cnc2c(OCc3ccccc3)nc(Cl)cc21.Cn1cnc2cc(Cl)nc(Cl)c21
InChIInChI=1S/C14H12ClN3O.C13H10ClN3O.C7H5Cl2N3/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9;1-12-3-10-4-2-5(8)11-7(9)6(4)12/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,15,16);2-3H,1H3
InChIKeyFZMSRRQGIAIMFT-UHFFFAOYSA-N
MW735.46 g/mol
LogP8.67
Rot. Bonds6

About 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine

6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine (PubChem CID 158188960) has the molecular formula C34H27Cl4N9O2 and a molecular weight of 735.46 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine
PubChem CID158188960
Molecular FormulaC34H27Cl4N9O2
Molecular Weight735.46 g/mol
Exact Mass733.10
IUPAC Name6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine
SMILESClc1cc2[nH]cnc2c(OCc2ccccc2)n1.Cn1cnc2c(OCc3ccccc3)nc(Cl)cc21.Cn1cnc2cc(Cl)nc(Cl)c21
InChIInChI=1S/C14H12ClN3O.C13H10ClN3O.C7H5Cl2N3/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9;1-12-3-10-4-2-5(8)11-7(9)6(4)12/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,15,16);2-3H,1H3
InChIKeyFZMSRRQGIAIMFT-UHFFFAOYSA-N
XLogP8.67
TPSA121.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.46
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine (CID 158188960) is 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine is Clc1cc2[nH]cnc2c(OCc2ccccc2)n1.Cn1cnc2c(OCc3ccccc3)nc(Cl)cc21.Cn1cnc2cc(Cl)nc(Cl)c21.
What is the InChIKey of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine?
The InChIKey is FZMSRRQGIAIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O.C13H10ClN3O.C7H5Cl2N3/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10;14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9;1-12-3-10-4-2-5(8)11-7(9)6(4)12/h2-7,9H,8H2,1H3;1-6,8H,7H2,(H,15,16);2-3H,1H3.
What are the key properties of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine?
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine has a molecular weight of 735.46 g/mol, XLogP of 8.67, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine;6-chloro-4-phenylmethoxy-1H-imidazo[4,5-c]pyridine;4,6-dichloro-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 158188960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).