2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C12H11BrClN3 — CID 156786901

IUPAC2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESClc1cc(Br)ccc1-c1nc2c([nH]1)CNCC2
InChIInChI=1S/C12H11BrClN3/c13-7-1-2-8(9(14)5-7)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17)
InChIKeySMQAKEYCCDKDNS-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.14
Rot. Bonds1

About 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 156786901) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID156786901
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESClc1cc(Br)ccc1-c1nc2c([nH]1)CNCC2
InChIInChI=1S/C12H11BrClN3/c13-7-1-2-8(9(14)5-7)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17)
InChIKeySMQAKEYCCDKDNS-UHFFFAOYSA-N
XLogP3.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 156786901) is 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is Clc1cc(Br)ccc1-c1nc2c([nH]1)CNCC2.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is SMQAKEYCCDKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c13-7-1-2-8(9(14)5-7)12-16-10-3-4-15-6-11(10)17-12/h1-2,5,15H,3-4,6H2,(H,16,17).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 312.60 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 156786901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).