2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine

C14H14ClN3O — CID 79292030

IUPAC2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
SMILESCC(Cc1ccco1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C14H14ClN3O/c1-10(7-11-3-2-6-19-11)18-13-4-5-16-9-12(13)17-14(18)8-15/h2-6,9-10H,7-8H2,1H3
InChIKeyBOZZHSHULCHWLH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.57
Rot. Bonds4

About 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine

2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine (PubChem CID 79292030) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
PubChem CID79292030
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
SMILESCC(Cc1ccco1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C14H14ClN3O/c1-10(7-11-3-2-6-19-11)18-13-4-5-16-9-12(13)17-14(18)8-15/h2-6,9-10H,7-8H2,1H3
InChIKeyBOZZHSHULCHWLH-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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

5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 61472347
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 115509302
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 79292830
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79292889
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine (CID 79292030) is 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine is CC(Cc1ccco1)n1c(CCl)nc2cnccc21.
What is the InChIKey of 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine?
The InChIKey is BOZZHSHULCHWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10(7-11-3-2-6-19-11)18-13-4-5-16-9-12(13)17-14(18)8-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine has a molecular weight of 275.74 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).