N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide

C18H15F2N3O2 — CID 47066052

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCO1
InChIInChI=1S/C18H15F2N3O2/c19-10-3-5-13(20)12(8-10)17-22-14-6-4-11(9-15(14)23-17)21-18(24)16-2-1-7-25-16/h3-6,8-9,16H,1-2,7H2,(H,21,24)(H,22,23)
InChIKeyRBRQOCPQGVFKBV-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide (PubChem CID 47066052) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
PubChem CID47066052
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCO1
InChIInChI=1S/C18H15F2N3O2/c19-10-3-5-13(20)12(8-10)17-22-14-6-4-11(9-15(14)23-17)21-18(24)16-2-1-7-25-16/h3-6,8-9,16H,1-2,7H2,(H,21,24)(H,22,23)
InChIKeyRBRQOCPQGVFKBV-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55993006
N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2960902
(4S)-N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51967169
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55933923
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
2-(2,5-difluorophenyl)-3H-benzimidazol-5-ol
CID 81432602
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
(2R,3S)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylmorpholine-3-carboxamide
CID 120939468
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide (CID 47066052) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide is O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)C1CCCO1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide?
The InChIKey is RBRQOCPQGVFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-10-3-5-13(20)12(8-10)17-22-14-6-4-11(9-15(14)23-17)21-18(24)16-2-1-7-25-16/h3-6,8-9,16H,1-2,7H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 47066052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).