[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

C23H22F2N4O2 — CID 56561554

IUPAC[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)c4ccc5nc(C(F)F)[nH]c5c4)CC3)c2c1
InChIInChI=1S/C23H22F2N4O2/c1-31-15-3-5-18-16(11-15)17(12-26-18)13-6-8-29(9-7-13)23(30)14-2-4-19-20(10-14)28-22(27-19)21(24)25/h2-5,10-13,21,26H,6-9H2,1H3,(H,27,28)
InChIKeyDCJRKZOKCLIQIO-UHFFFAOYSA-N
MW424.45 g/mol
LogP5.01
Rot. Bonds4

About [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone

[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 56561554) has the molecular formula C23H22F2N4O2 and a molecular weight of 424.45 g/mol. Its IUPAC name is [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID56561554
Molecular FormulaC23H22F2N4O2
Molecular Weight424.45 g/mol
Exact Mass424.17
IUPAC Name[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]cc(C3CCN(C(=O)c4ccc5nc(C(F)F)[nH]c5c4)CC3)c2c1
InChIInChI=1S/C23H22F2N4O2/c1-31-15-3-5-18-16(11-15)17(12-26-18)13-6-8-29(9-7-13)23(30)14-2-4-19-20(10-14)28-22(27-19)21(24)25/h2-5,10-13,21,26H,6-9H2,1H3,(H,27,28)
InChIKeyDCJRKZOKCLIQIO-UHFFFAOYSA-N
XLogP5.01
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone (CID 56561554) is [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc5nc(C(F)F)[nH]c5c4)CC3)c2c1.
What is the InChIKey of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DCJRKZOKCLIQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2/c1-31-15-3-5-18-16(11-15)17(12-26-18)13-6-8-29(9-7-13)23(30)14-2-4-19-20(10-14)28-22(27-19)21(24)25/h2-5,10-13,21,26H,6-9H2,1H3,(H,27,28).
What are the key properties of [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone?
[2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 424.45 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3H-benzimidazol-5-yl]-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56561554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).