N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide

C15H19N3O3 — CID 110785343

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)C3CCCO3)ccc21
InChIInChI=1S/C15H19N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeySQABZVUXLFAFNK-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.67
Rot. Bonds3

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide (PubChem CID 110785343) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
PubChem CID110785343
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(CNC(=O)C3CCCO3)ccc21
InChIInChI=1S/C15H19N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,19)
InChIKeySQABZVUXLFAFNK-UHFFFAOYSA-N
XLogP0.67
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
CID 110783702
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide (CID 110785343) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide is Cn1c(=O)n(C)c2cc(CNC(=O)C3CCCO3)ccc21.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
The InChIKey is SQABZVUXLFAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-11-6-5-10(8-12(11)18(2)15(17)20)9-16-14(19)13-4-3-7-21-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110785343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).