N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

C25H21N3O3 — CID 2960902

IUPACN-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cccc(NC(=O)C4CCCO4)c3)[nH]c2c1
InChIInChI=1S/C25H21N3O3/c29-23(16-6-2-1-3-7-16)17-11-12-20-21(15-17)28-24(27-20)18-8-4-9-19(14-18)26-25(30)22-10-5-13-31-22/h1-4,6-9,11-12,14-15,22H,5,10,13H2,(H,26,30)(H,27,28)
InChIKeyVSVQQEJVLVVSMK-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.58
Rot. Bonds5

About N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide

N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 2960902) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID2960902
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cccc(NC(=O)C4CCCO4)c3)[nH]c2c1
InChIInChI=1S/C25H21N3O3/c29-23(16-6-2-1-3-7-16)17-11-12-20-21(15-17)28-24(27-20)18-8-4-9-19(14-18)26-25(30)22-10-5-13-31-22/h1-4,6-9,11-12,14-15,22H,5,10,13H2,(H,26,30)(H,27,28)
InChIKeyVSVQQEJVLVVSMK-UHFFFAOYSA-N
XLogP4.58
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
(2R)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]oxolane-2-carboxamide
CID 27234711
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2961612
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
CID 47066052
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42951709
[4-(4-fluorobenzoyl)phenyl] 3-(oxolane-2-carbonylamino)benzoate
CID 42943945

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide (CID 2960902) is N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is O=C(c1ccccc1)c1ccc2nc(-c3cccc(NC(=O)C4CCCO4)c3)[nH]c2c1.
What is the InChIKey of N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is VSVQQEJVLVVSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(16-6-2-1-3-7-16)17-11-12-20-21(15-17)28-24(27-20)18-8-4-9-19(14-18)26-25(30)22-10-5-13-31-22/h1-4,6-9,11-12,14-15,22H,5,10,13H2,(H,26,30)(H,27,28).
What are the key properties of N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide?
N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2960902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).