1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

C14H11BrClN3 — CID 79292367

IUPAC1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClN3/c15-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)5-7-16/h1-4,6,8-9H,5,7H2
InChIKeyLAKRZDMZDZXGQN-UHFFFAOYSA-N
MW336.62 g/mol
LogP3.96
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine

1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (PubChem CID 79292367) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
PubChem CID79292367
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
SMILESClCCc1nc2cnccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClN3/c15-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)5-7-16/h1-4,6,8-9H,5,7H2
InChIKeyLAKRZDMZDZXGQN-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79273787
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 107637663
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
2-(2-chloroethyl)-1-(2-ethylphenyl)imidazo[4,5-c]pyridine
CID 79292778
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 106760331
2-(2-chloroethyl)-1-(2-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79291868
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine (CID 79292367) is 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is ClCCc1nc2cnccc2n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
The InChIKey is LAKRZDMZDZXGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c15-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)5-7-16/h1-4,6,8-9H,5,7H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine?
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine has a molecular weight of 336.62 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).