(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone

C28H26N4O2 — CID 24776349

IUPAC(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(-c5ccccc5)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C28H26N4O2/c1-34-22-11-12-23-20(17-22)18-25(29-23)28(33)31-15-13-21(14-16-31)32-26-10-6-5-9-24(26)30-27(32)19-7-3-2-4-8-19/h2-12,17-18,21,29H,13-16H2,1H3
InChIKeyZNSWMXKHYJKZDL-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.67
Rot. Bonds4

About (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone

(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 24776349) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID24776349
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(-c5ccccc5)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C28H26N4O2/c1-34-22-11-12-23-20(17-22)18-25(29-23)28(33)31-15-13-21(14-16-31)32-26-10-6-5-9-24(26)30-27(32)19-7-3-2-4-8-19/h2-12,17-18,21,29H,13-16H2,1H3
InChIKeyZNSWMXKHYJKZDL-UHFFFAOYSA-N
XLogP5.67
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone (CID 24776349) is (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4c(-c5ccccc5)nc5ccccc54)CC3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is ZNSWMXKHYJKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-34-22-11-12-23-20(17-22)18-25(29-23)28(33)31-15-13-21(14-16-31)32-26-10-6-5-9-24(26)30-27(32)19-7-3-2-4-8-19/h2-12,17-18,21,29H,13-16H2,1H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24776349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).