N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C24H21F3N4O3 — CID 126689249

IUPACN-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCn1cccc(-c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)c1=O
InChIInChI=1S/C24H21F3N4O3/c1-30-10-3-7-18(22(30)34)15-8-9-20-19(14-15)28-23(31(20)11-4-12-32)29-21(33)16-5-2-6-17(13-16)24(25,26)27/h2-3,5-10,13-14,32H,4,11-12H2,1H3,(H,28,29,33)
InChIKeyGUEWCFNCYJBDCN-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.06
Rot. Bonds6

About N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 126689249) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID126689249
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCn1cccc(-c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)c1=O
InChIInChI=1S/C24H21F3N4O3/c1-30-10-3-7-18(22(30)34)15-8-9-20-19(14-15)28-23(31(20)11-4-12-32)29-21(33)16-5-2-6-17(13-16)24(25,26)27/h2-3,5-10,13-14,32H,4,11-12H2,1H3,(H,28,29,33)
InChIKeyGUEWCFNCYJBDCN-UHFFFAOYSA-N
XLogP4.06
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide 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-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 126689249) is N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is Cn1cccc(-c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)c1=O.
What is the InChIKey of N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is GUEWCFNCYJBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-30-10-3-7-18(22(30)34)15-8-9-20-19(14-15)28-23(31(20)11-4-12-32)29-21(33)16-5-2-6-17(13-16)24(25,26)27/h2-3,5-10,13-14,32H,4,11-12H2,1H3,(H,28,29,33).
What are the key properties of N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 470.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxo-3-pyridinyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 126689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).