N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide

C16H17N3O2 — CID 16973985

IUPACN-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESC#CCn1c(CNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h1,3-4,6-7,14H,5,8-11H2,(H,17,20)
InChIKeyNMMAGGWTSNOEIR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.46
Rot. Bonds4

About N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide

N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 16973985) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID16973985
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESC#CCn1c(CNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h1,3-4,6-7,14H,5,8-11H2,(H,17,20)
InChIKeyNMMAGGWTSNOEIR-UHFFFAOYSA-N
XLogP1.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974006
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974110
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974027
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
N-[[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974116
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
N-[[1-[2-(2,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029230
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974101
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228

Frequently Asked Questions

What is the IUPAC name of N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 16973985) is N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide is C#CCn1c(CNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is NMMAGGWTSNOEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-9-19-13-7-4-3-6-12(13)18-15(19)11-17-16(20)14-8-5-10-21-14/h1,3-4,6-7,14H,5,8-11H2,(H,17,20).
What are the key properties of N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide?
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16973985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).