2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine

C12H16ClN3O — CID 169090326

IUPAC2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine
SMILESClCC1Nc2ccncc2N1C1CCOCC1
InChIInChI=1S/C12H16ClN3O/c13-7-12-15-10-1-4-14-8-11(10)16(12)9-2-5-17-6-3-9/h1,4,8-9,12,15H,2-3,5-7H2
InChIKeyJWXORQHPVCSKAQ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds2

About 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine

2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine (PubChem CID 169090326) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine
PubChem CID169090326
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine
SMILESClCC1Nc2ccncc2N1C1CCOCC1
InChIInChI=1S/C12H16ClN3O/c13-7-12-15-10-1-4-14-8-11(10)16(12)9-2-5-17-6-3-9/h1,4,8-9,12,15H,2-3,5-7H2
InChIKeyJWXORQHPVCSKAQ-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diiodo-1,2-dihydroimidazo[4,5-c]pyridine
CID 166714784
2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
CID 141313293
4-(chloromethyl)-3-(oxan-4-yloxy)pyridine
CID 105067700
(6S)-2,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene
CID 82411081
4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidine
CID 141174270
1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-amine
CID 80712502
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 84589797
(S)-(3-chloro-4-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239096
5-(oxan-4-yl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851045
5-ethynyl-1-(oxan-4-yl)pyrazole
CID 155821915
2-(chloromethyl)-4-(3-chloro-4-pyridinyl)morpholine
CID 81209519

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine (CID 169090326) is 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine is ClCC1Nc2ccncc2N1C1CCOCC1.
What is the InChIKey of 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine?
The InChIKey is JWXORQHPVCSKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-7-12-15-10-1-4-14-8-11(10)16(12)9-2-5-17-6-3-9/h1,4,8-9,12,15H,2-3,5-7H2.
What are the key properties of 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine?
2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine has a molecular weight of 253.73 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 169090326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).