3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C22H22N4O3 — CID 24776343

IUPAC3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O3/c1-29-16-6-7-17-14(12-16)13-19(23-17)21(27)25-10-8-15(9-11-25)26-20-5-3-2-4-18(20)24-22(26)28/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,28)
InChIKeyMWZDWGQFJGABMO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.30
Rot. Bonds3

About 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 24776343) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID24776343
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2c1
InChIInChI=1S/C22H22N4O3/c1-29-16-6-7-17-14(12-16)13-19(23-17)21(27)25-10-8-15(9-11-25)26-20-5-3-2-4-18(20)24-22(26)28/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,28)
InChIKeyMWZDWGQFJGABMO-UHFFFAOYSA-N
XLogP3.30
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 24776343) is 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc2[nH]c(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2c1.
What is the InChIKey of 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MWZDWGQFJGABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-16-6-7-17-14(12-16)13-19(23-17)21(27)25-10-8-15(9-11-25)26-20-5-3-2-4-18(20)24-22(26)28/h2-7,12-13,15,23H,8-11H2,1H3,(H,24,28).
What are the key properties of 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 24776343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).