2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine

C14H14ClN3O — CID 79291836

IUPAC2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(CCCl)nc3cnccc32)o1
InChIInChI=1S/C14H14ClN3O/c1-10-2-3-11(19-10)9-18-13-5-7-16-8-12(13)17-14(18)4-6-15/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeyIMBVBVRZTNOJLG-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.16
Rot. Bonds4

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

2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine (PubChem CID 79291836) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
PubChem CID79291836
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
SMILESCc1ccc(Cn2c(CCCl)nc3cnccc32)o1
InChIInChI=1S/C14H14ClN3O/c1-10-2-3-11(19-10)9-18-13-5-7-16-8-12(13)17-14(18)4-6-15/h2-3,5,7-8H,4,6,9H2,1H3
InChIKeyIMBVBVRZTNOJLG-UHFFFAOYSA-N
XLogP3.16
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.16
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-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79292889
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79292646
1-[(5-bromothiophen-2-yl)methyl]-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292128
5-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 62522862
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
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-(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-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 79291879
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine (CID 79291836) is 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine is Cc1ccc(Cn2c(CCCl)nc3cnccc32)o1.
What is the InChIKey of 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is IMBVBVRZTNOJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-2-3-11(19-10)9-18-13-5-7-16-8-12(13)17-14(18)4-6-15/h2-3,5,7-8H,4,6,9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine?
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 275.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79291836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).