2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine

C14H21ClN4 — CID 79292917

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H21ClN4/c1-3-18(4-2)9-10-19-13-6-8-16-11-12(13)17-14(19)5-7-15/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyQUUGYFYROXIZNL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.55
Rot. Bonds7

About 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine

2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine (PubChem CID 79292917) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
PubChem CID79292917
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCCl)nc2cnccc21
InChIInChI=1S/C14H21ClN4/c1-3-18(4-2)9-10-19-13-6-8-16-11-12(13)17-14(19)5-7-15/h6,8,11H,3-5,7,9-10H2,1-2H3
InChIKeyQUUGYFYROXIZNL-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 79291879
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine (CID 79292917) is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine?
The InChIKey is QUUGYFYROXIZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-3-18(4-2)9-10-19-13-6-8-16-11-12(13)17-14(19)5-7-15/h6,8,11H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine?
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine has a molecular weight of 280.80 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 79292917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).