2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine

C15H20ClN3 — CID 79293376

IUPAC2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C1(C)CCCCC1
InChIInChI=1S/C15H20ClN3/c1-11-6-9-17-14-13(11)18-12(10-16)19(14)15(2)7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyYGQRGBAZZQRGKU-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.16
Rot. Bonds2

About 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine (PubChem CID 79293376) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
PubChem CID79293376
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2C1(C)CCCCC1
InChIInChI=1S/C15H20ClN3/c1-11-6-9-17-14-13(11)18-12(10-16)19(14)15(2)7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyYGQRGBAZZQRGKU-UHFFFAOYSA-N
XLogP4.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.16
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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
2-(4-Nitrophenyl)imidazo(1,2-a)pyridine
CID 201134
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Bms 345541
CID 9926054
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
2-(3-Nitrophenyl)imidazo[1,2-a]pyridine
CID 617391

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine (CID 79293376) is 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2C1(C)CCCCC1.
What is the InChIKey of 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
The InChIKey is YGQRGBAZZQRGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-6-9-17-14-13(11)18-12(10-16)19(14)15(2)7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine has a molecular weight of 277.80 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-7-methyl-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79293376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).