N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide

C19H19ClFN3O — CID 4753645

IUPACN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFN3O/c1-13(25)22-11-5-10-19-23-17-8-2-3-9-18(17)24(19)12-14-15(20)6-4-7-16(14)21/h2-4,6-9H,5,10-12H2,1H3,(H,22,25)
InChIKeyPADZQXWACBLXCP-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide

N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 4753645) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID4753645
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC NameN-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide
SMILESCC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFN3O/c1-13(25)22-11-5-10-19-23-17-8-2-3-9-18(17)24(19)12-14-15(20)6-4-7-16(14)21/h2-4,6-9H,5,10-12H2,1H3,(H,22,25)
InChIKeyPADZQXWACBLXCP-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide (CID 4753645) is N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide is CC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is PADZQXWACBLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-13(25)22-11-5-10-19-23-17-8-2-3-9-18(17)24(19)12-14-15(20)6-4-7-16(14)21/h2-4,6-9H,5,10-12H2,1H3,(H,22,25).
What are the key properties of N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide?
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 359.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 4753645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).