2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine

C14H20ClN3 — CID 106330443

IUPAC2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCC(C)(CC)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H20ClN3/c1-4-14(3,5-2)18-12-7-9-16-10-11(12)17-13(18)6-8-15/h7,9-10H,4-6,8H2,1-3H3
InChIKeyXIQDVKYSTMEAGW-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.75
Rot. Bonds5

About 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine

2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine (PubChem CID 106330443) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
PubChem CID106330443
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
SMILESCCC(C)(CC)n1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H20ClN3/c1-4-14(3,5-2)18-12-7-9-16-10-11(12)17-13(18)6-8-15/h7,9-10H,4-6,8H2,1-3H3
InChIKeyXIQDVKYSTMEAGW-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.75
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-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
5-chloro-2-(chloromethyl)-1-(3-methylpentan-3-yl)benzimidazole
CID 114174442
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-(chloromethyl)-5-methyl-1-(3-methylpentan-3-yl)benzimidazole
CID 114174450
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 106760331
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine (CID 106330443) is 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine is CCC(C)(CC)n1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine?
The InChIKey is XIQDVKYSTMEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-14(3,5-2)18-12-7-9-16-10-11(12)17-13(18)6-8-15/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine has a molecular weight of 265.79 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 106330443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).