3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride

C24H26ClF2N5O3 — CID 126688335

IUPAC3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F2N5O3.ClH/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);1H
InChIKeyINQBTGDQDZSGKT-UHFFFAOYSA-N
MW505.95 g/mol
LogP3.94
Rot. Bonds5

About 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride

3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride (PubChem CID 126688335) has the molecular formula C24H26ClF2N5O3 and a molecular weight of 505.95 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride
PubChem CID126688335
Molecular FormulaC24H26ClF2N5O3
Molecular Weight505.95 g/mol
Exact Mass505.17
IUPAC Name3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride
SMILESCl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F2N5O3.ClH/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);1H
InChIKeyINQBTGDQDZSGKT-UHFFFAOYSA-N
XLogP3.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.95
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride 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 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride (CID 126688335) is 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride is Cl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride?
The InChIKey is INQBTGDQDZSGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3.ClH/c25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;/h1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);1H.
What are the key properties of 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride?
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride has a molecular weight of 505.95 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 126688335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).