N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide

C20H16ClN3O3 — CID 1492379

IUPACN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H16ClN3O3/c21-14-7-9-15(10-8-14)26-13-11-24-17-5-2-1-4-16(17)22-20(24)23-19(25)18-6-3-12-27-18/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyZJZLUSTYWAHDRA-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.61
Rot. Bonds6

About N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide

N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide (PubChem CID 1492379) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
PubChem CID1492379
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H16ClN3O3/c21-14-7-9-15(10-8-14)26-13-11-24-17-5-2-1-4-16(17)22-20(24)23-19(25)18-6-3-12-27-18/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyZJZLUSTYWAHDRA-UHFFFAOYSA-N
XLogP4.61
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide (CID 1492379) is N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide is O=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
The InChIKey is ZJZLUSTYWAHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-14-7-9-15(10-8-14)26-13-11-24-17-5-2-1-4-16(17)22-20(24)23-19(25)18-6-3-12-27-18/h1-10,12H,11,13H2,(H,22,23,25).
What are the key properties of N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide?
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1492379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).