(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide

C13H15N3O2 — CID 35280653

IUPAC(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
SMILESCn1c(NC(=O)[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C13H15N3O2/c1-16-10-6-3-2-5-9(10)14-13(16)15-12(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15,17)/t11-/m1/s1
InChIKeyMNPADIJMBXZDSE-LLVKDONJSA-N
MW245.28 g/mol
LogP1.69
Rot. Bonds2

About (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide

(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide (PubChem CID 35280653) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
PubChem CID35280653
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
SMILESCn1c(NC(=O)[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C13H15N3O2/c1-16-10-6-3-2-5-9(10)14-13(16)15-12(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15,17)/t11-/m1/s1
InChIKeyMNPADIJMBXZDSE-LLVKDONJSA-N
XLogP1.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
CID 35427671
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
N-phenyloxolane-2-carboxamide
CID 3453643
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-2-carboxamide
CID 53204396
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxolane-2-carbohydrazide
CID 86985909
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16973462

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide (CID 35280653) is (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide is Cn1c(NC(=O)[C@H]2CCCO2)nc2ccccc21.
What is the InChIKey of (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide?
The InChIKey is MNPADIJMBXZDSE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-10-6-3-2-5-9(10)14-13(16)15-12(17)11-7-4-8-18-11/h2-3,5-6,11H,4,7-8H2,1H3,(H,14,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide?
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 35280653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).