N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

C22H23N3O2 — CID 16974027

IUPACN-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCO1
InChIInChI=1S/C22H23N3O2/c26-22(20-13-7-15-27-20)23-16-21-24-18-11-4-5-12-19(18)25(21)14-6-10-17-8-2-1-3-9-17/h1-6,8-12,20H,7,13-16H2,(H,23,26)/b10-6+
InChIKeyDUFKPYUSKRVWFU-UXBLZVDNSA-N
MW361.44 g/mol
LogP3.54
Rot. Bonds6

About N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide

N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 16974027) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID16974027
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCO1
InChIInChI=1S/C22H23N3O2/c26-22(20-13-7-15-27-20)23-16-21-24-18-11-4-5-12-19(18)25(21)14-6-10-17-8-2-1-3-9-17/h1-6,8-12,20H,7,13-16H2,(H,23,26)/b10-6+
InChIKeyDUFKPYUSKRVWFU-UXBLZVDNSA-N
XLogP3.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983
N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973985
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
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-[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
2-chloro-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]benzamide
CID 17007455
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974101

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide (CID 16974027) is N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is O=C(NCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCO1.
What is the InChIKey of N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is DUFKPYUSKRVWFU-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(20-13-7-15-27-20)23-16-21-24-18-11-4-5-12-19(18)25(21)14-6-10-17-8-2-1-3-9-17/h1-6,8-12,20H,7,13-16H2,(H,23,26)/b10-6+.
What are the key properties of N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 16974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).