4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C22H22N4 — CID 139553377

IUPAC4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H22N4/c1-3-7-16(8-4-1)20-21(18-11-13-23-22-19(18)12-14-24-22)26(15-25-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,23,24)
InChIKeyKXUZTOKQEHKJCV-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.60
Rot. Bonds3

About 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139553377) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID139553377
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H22N4/c1-3-7-16(8-4-1)20-21(18-11-13-23-22-19(18)12-14-24-22)26(15-25-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,23,24)
InChIKeyKXUZTOKQEHKJCV-UHFFFAOYSA-N
XLogP5.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 139553377) is 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is c1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KXUZTOKQEHKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-7-16(8-4-1)20-21(18-11-13-23-22-19(18)12-14-24-22)26(15-25-20)17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H,23,24).
What are the key properties of 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 342.45 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-5-phenylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139553377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).