chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine

C29H40ClN3 — CID 145012582

IUPACchloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
SMILESCC1N(c2ccccc2)c2cccnc2N1c1ccccc1.CCCC(CC)C(C)C.CCl
InChIInChI=1S/C19H17N3.C9H20.CH3Cl/c1-15-21(16-9-4-2-5-10-16)18-13-8-14-20-19(18)22(15)17-11-6-3-7-12-17;1-5-7-9(6-2)8(3)4;1-2/h2-15H,1H3;8-9H,5-7H2,1-4H3;1H3
InChIKeyJSBMEYCYFOIGAL-UHFFFAOYSA-N
MW466.11 g/mol
LogP9.04
Rot. Bonds6

About chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine

chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine (PubChem CID 145012582) has the molecular formula C29H40ClN3 and a molecular weight of 466.11 g/mol. Its IUPAC name is chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Namechloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
PubChem CID145012582
Molecular FormulaC29H40ClN3
Molecular Weight466.11 g/mol
Exact Mass465.29
IUPAC Namechloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine
SMILESCC1N(c2ccccc2)c2cccnc2N1c1ccccc1.CCCC(CC)C(C)C.CCl
InChIInChI=1S/C19H17N3.C9H20.CH3Cl/c1-15-21(16-9-4-2-5-10-16)18-13-8-14-20-19(18)22(15)17-11-6-3-7-12-17;1-5-7-9(6-2)8(3)4;1-2/h2-15H,1H3;8-9H,5-7H2,1-4H3;1H3
InChIKeyJSBMEYCYFOIGAL-UHFFFAOYSA-N
XLogP9.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-tert-butylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 176756518
methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;bis(2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine);2-methyl-3-(3-methyldibenzofuran-4-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 162269247
(2R)-3-tert-butyl-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 155603202
5-tert-butyl-2-methyl-3-(2-methylphenyl)-1-phenyl-2H-benzimidazole;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine;2,3-dimethyl-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridine
CID 162296591
2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-3,4-dihydro-[1]benzofuro[2,3-b]pyridine
CID 139494486
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162296637
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
(3R)-3-ethyl-2-methylhexane
CID 59954424
2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-g]quinoline
CID 130318823
7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 159244173
(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;(2R)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine;(2S)-2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
CID 161286622

Frequently Asked Questions

What is the IUPAC name of chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine (CID 145012582) is chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine is CC1N(c2ccccc2)c2cccnc2N1c1ccccc1.CCCC(CC)C(C)C.CCl.
What is the InChIKey of chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is JSBMEYCYFOIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3.C9H20.CH3Cl/c1-15-21(16-9-4-2-5-10-16)18-13-8-14-20-19(18)22(15)17-11-6-3-7-12-17;1-5-7-9(6-2)8(3)4;1-2/h2-15H,1H3;8-9H,5-7H2,1-4H3;1H3.
What are the key properties of chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine?
chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 466.11 g/mol, XLogP of 9.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;3-ethyl-2-methylhexane;2-methyl-1,3-diphenyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145012582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).