N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide

C24H18ClFN4O2 — CID 90413415

IUPACN-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(-c3ccc4ncn(Cc5cccc(F)c5)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C24H18ClFN4O2/c25-20-11-27-23(29-24(32)16-7-18(31)8-16)10-19(20)15-4-5-21-22(9-15)30(13-28-21)12-14-2-1-3-17(26)6-14/h1-6,9-11,13,16H,7-8,12H2,(H,27,29,32)
InChIKeyHEVFRDDWFUPZRH-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.86
Rot. Bonds5

About N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide

N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide (PubChem CID 90413415) has the molecular formula C24H18ClFN4O2 and a molecular weight of 448.89 g/mol. Its IUPAC name is N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide
PubChem CID90413415
Molecular FormulaC24H18ClFN4O2
Molecular Weight448.89 g/mol
Exact Mass448.11
IUPAC NameN-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(-c3ccc4ncn(Cc5cccc(F)c5)c4c3)c(Cl)cn2)C1
InChIInChI=1S/C24H18ClFN4O2/c25-20-11-27-23(29-24(32)16-7-18(31)8-16)10-19(20)15-4-5-21-22(9-15)30(13-28-21)12-14-2-1-3-17(26)6-14/h1-6,9-11,13,16H,7-8,12H2,(H,27,29,32)
InChIKeyHEVFRDDWFUPZRH-UHFFFAOYSA-N
XLogP4.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide 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 N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide (CID 90413415) is N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide is O=C1CC(C(=O)Nc2cc(-c3ccc4ncn(Cc5cccc(F)c5)c4c3)c(Cl)cn2)C1.
What is the InChIKey of N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is HEVFRDDWFUPZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O2/c25-20-11-27-23(29-24(32)16-7-18(31)8-16)10-19(20)15-4-5-21-22(9-15)30(13-28-21)12-14-2-1-3-17(26)6-14/h1-6,9-11,13,16H,7-8,12H2,(H,27,29,32).
What are the key properties of N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide?
N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 90413415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).