N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

C21H21Cl2N3O2 — CID 16973343

IUPACN-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-13(24-21(27)19-7-4-10-28-19)20-25-17-5-2-3-6-18(17)26(20)12-14-8-9-15(22)11-16(14)23/h2-3,5-6,8-9,11,13,19H,4,7,10,12H2,1H3,(H,24,27)
InChIKeyJTYPOKZBNONOLZ-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.75
Rot. Bonds5

About N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (PubChem CID 16973343) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
PubChem CID16973343
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC NameN-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)C1CCCO1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-13(24-21(27)19-7-4-10-28-19)20-25-17-5-2-3-6-18(17)26(20)12-14-8-9-15(22)11-16(14)23/h2-3,5-6,8-9,11,13,19H,4,7,10,12H2,1H3,(H,24,27)
InChIKeyJTYPOKZBNONOLZ-UHFFFAOYSA-N
XLogP4.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972535
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116
methyl 2-[2-[1-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16973462
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
(Z)-N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970293
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973384
N-[1-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030150
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16973385
N-[1-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030134
N-[1-[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030123
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide (CID 16973343) is N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is CC(NC(=O)C1CCCO1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is JTYPOKZBNONOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-13(24-21(27)19-7-4-10-28-19)20-25-17-5-2-3-6-18(17)26(20)12-14-8-9-15(22)11-16(14)23/h2-3,5-6,8-9,11,13,19H,4,7,10,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide?
N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 418.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 16973343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).