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

C22H22N4O2 — CID 24776344

IUPAC[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3
InChIKeyZTWRYQYSGZSPLJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.00
Rot. Bonds3

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

[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 24776344) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID24776344
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3
InChIKeyZTWRYQYSGZSPLJ-UHFFFAOYSA-N
XLogP4.00
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 24776344) is [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1.
What is the InChIKey of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is ZTWRYQYSGZSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-17-6-7-18-15(12-17)13-20(24-18)22(27)25-10-8-16(9-11-25)26-14-23-19-4-2-3-5-21(19)26/h2-7,12-14,16,24H,8-11H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)piperidin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 24776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).