2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C23H22ClN3 — CID 156786739

IUPAC2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESClc1ccccc1-c1nc2c([nH]1)CN(C1C3CCC1c1ccccc13)CC2
InChIInChI=1S/C23H22ClN3/c24-19-8-4-3-7-18(19)23-25-20-11-12-27(13-21(20)26-23)22-16-9-10-17(22)15-6-2-1-5-14(15)16/h1-8,16-17,22H,9-13H2,(H,25,26)
InChIKeyHJUSUSCPVQSWND-UHFFFAOYSA-N
MW375.90 g/mol
LogP5.13
Rot. Bonds2

About 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 156786739) has the molecular formula C23H22ClN3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID156786739
Molecular FormulaC23H22ClN3
Molecular Weight375.90 g/mol
Exact Mass375.15
IUPAC Name2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESClc1ccccc1-c1nc2c([nH]1)CN(C1C3CCC1c1ccccc13)CC2
InChIInChI=1S/C23H22ClN3/c24-19-8-4-3-7-18(19)23-25-20-11-12-27(13-21(20)26-23)22-16-9-10-17(22)15-6-2-1-5-14(15)16/h1-8,16-17,22H,9-13H2,(H,25,26)
InChIKeyHJUSUSCPVQSWND-UHFFFAOYSA-N
XLogP5.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 156786739) is 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Clc1ccccc1-c1nc2c([nH]1)CN(C1C3CCC1c1ccccc13)CC2.
What is the InChIKey of 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HJUSUSCPVQSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3/c24-19-8-4-3-7-18(19)23-25-20-11-12-27(13-21(20)26-23)22-16-9-10-17(22)15-6-2-1-5-14(15)16/h1-8,16-17,22H,9-13H2,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 375.90 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-(11-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 156786739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).