2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine

C10H12ClN3 — CID 76850733

IUPAC2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQFXRNHSXTVSHPS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.95
Rot. Bonds3

About 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine

2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine (PubChem CID 76850733) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
PubChem CID76850733
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESCCCCc1nc2c(Cl)nccc2[nH]1
InChIInChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyQFXRNHSXTVSHPS-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-2-octyl-1H-benzimidazole
CID 54123054
2-undecyl-1H-benzimidazol-4-amine
CID 65427678
4-chloro-5-methyl-2-tetradecyl-1H-imidazole
CID 163997972
ethyl 4-chloro-1H-imidazo[4,5-c]pyridine-2-carboxylate
CID 131257762
2-docosyl-1H-benzimidazole
CID 141189761
2-butyl-1H-pyrimidin-6-one
CID 10511035
2,4,5,6-tetrabutyl-1H-benzimidazole;hydrobromide
CID 174989924
2-butyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 172604036
5,6-dichloro-2-heptadecyl-1H-imidazo[4,5-b]pyrazine
CID 5383665
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine (CID 76850733) is 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine is CCCCc1nc2c(Cl)nccc2[nH]1.
What is the InChIKey of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QFXRNHSXTVSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-2-3-4-8-13-7-5-6-12-10(11)9(7)14-8/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine?
2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 76850733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).