N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide

C23H21FN4O4 — CID 90062151

IUPACN-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cccc(-n3cnc4c(F)cccc43)n2)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-31-19-10-9-14(11-20(19)32-2)23(30)25-12-18(29)16-6-4-8-21(27-16)28-13-26-22-15(24)5-3-7-17(22)28/h3-11,13,18,29H,12H2,1-2H3,(H,25,30)
InChIKeyMRAFAFUUEQYDND-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide

N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (PubChem CID 90062151) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
PubChem CID90062151
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC NameN-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cccc(-n3cnc4c(F)cccc43)n2)cc1OC
InChIInChI=1S/C23H21FN4O4/c1-31-19-10-9-14(11-20(19)32-2)23(30)25-12-18(29)16-6-4-8-21(27-16)28-13-26-22-15(24)5-3-7-17(22)28/h3-11,13,18,29H,12H2,1-2H3,(H,25,30)
InChIKeyMRAFAFUUEQYDND-UHFFFAOYSA-N
XLogP3.04
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide 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-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide (CID 90062151) is N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(O)c2cccc(-n3cnc4c(F)cccc43)n2)cc1OC.
What is the InChIKey of N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
The InChIKey is MRAFAFUUEQYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-31-19-10-9-14(11-20(19)32-2)23(30)25-12-18(29)16-6-4-8-21(27-16)28-13-26-22-15(24)5-3-7-17(22)28/h3-11,13,18,29H,12H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide?
N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide has a molecular weight of 436.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-fluorobenzimidazol-1-yl)-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 90062151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).