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

C26H30N4O2 — CID 24776347

IUPAC(5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C26H30N4O2/c1-17(2)14-25-28-22-6-4-5-7-24(22)30(25)19-10-12-29(13-11-19)26(31)23-16-18-15-20(32-3)8-9-21(18)27-23/h4-9,15-17,19,27H,10-14H2,1-3H3
InChIKeyYOKYFNIZXANDKH-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.20
Rot. Bonds5

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

(5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 24776347) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID24776347
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name(5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)nc5ccccc54)CC3)cc2c1
InChIInChI=1S/C26H30N4O2/c1-17(2)14-25-28-22-6-4-5-7-24(22)30(25)19-10-12-29(13-11-19)26(31)23-16-18-15-20(32-3)8-9-21(18)27-23/h4-9,15-17,19,27H,10-14H2,1-3H3
InChIKeyYOKYFNIZXANDKH-UHFFFAOYSA-N
XLogP5.20
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.20
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-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 24776347) is (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4c(CC(C)C)nc5ccccc54)CC3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is YOKYFNIZXANDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17(2)14-25-28-22-6-4-5-7-24(22)30(25)19-10-12-29(13-11-19)26(31)23-16-18-15-20(32-3)8-9-21(18)27-23/h4-9,15-17,19,27H,10-14H2,1-3H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 430.55 g/mol, XLogP of 5.20, 5 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-(2-methylpropyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24776347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).