N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

C22H20ClN3O2 — CID 3164560

IUPACN-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27)
InChIKeyOOPIRPPRAXUUOK-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.69
Rot. Bonds7

About N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide

N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (PubChem CID 3164560) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
PubChem CID3164560
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27)
InChIKeyOOPIRPPRAXUUOK-UHFFFAOYSA-N
XLogP4.69
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide (CID 3164560) is N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
The InChIKey is OOPIRPPRAXUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-17-11-9-16(10-12-17)15-26-19-6-2-1-5-18(19)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13,15H2,(H,24,27).
What are the key properties of N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide?
N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 3164560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).