2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide

C15H17F2N3O2 — CID 138998345

IUPAC2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C15H17F2N3O2/c16-13(17)14-19-11-4-3-10(6-12(11)20-14)15(21)18-7-9-2-1-5-22-8-9/h3-4,6,9,13H,1-2,5,7-8H2,(H,18,21)(H,19,20)
InChIKeyUUYDXZDECRJRSS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.66
Rot. Bonds4

About 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 138998345) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID138998345
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C15H17F2N3O2/c16-13(17)14-19-11-4-3-10(6-12(11)20-14)15(21)18-7-9-2-1-5-22-8-9/h3-4,6,9,13H,1-2,5,7-8H2,(H,18,21)(H,19,20)
InChIKeyUUYDXZDECRJRSS-UHFFFAOYSA-N
XLogP2.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626
3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
2-(difluoromethyl)-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 56513994
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
4-fluoro-N-(oxan-3-ylmethyl)-3-sulfamoylbenzamide
CID 61217199
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56539158

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 138998345) is 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCC1CCCOC1)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is UUYDXZDECRJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-13(17)14-19-11-4-3-10(6-12(11)20-14)15(21)18-7-9-2-1-5-22-8-9/h3-4,6,9,13H,1-2,5,7-8H2,(H,18,21)(H,19,20).
What are the key properties of 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 138998345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).