N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

C17H15ClFN3O — CID 2989675

IUPACN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCC(NC=O)c1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFN3O/c1-11(20-10-23)17-21-15-7-2-3-8-16(15)22(17)9-12-13(18)5-4-6-14(12)19/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyARJOOZDHGXVDQN-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.68
Rot. Bonds5

About N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 2989675) has the molecular formula C17H15ClFN3O and a molecular weight of 331.78 g/mol. Its IUPAC name is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID2989675
Molecular FormulaC17H15ClFN3O
Molecular Weight331.78 g/mol
Exact Mass331.09
IUPAC NameN-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESCC(NC=O)c1nc2ccccc2n1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFN3O/c1-11(20-10-23)17-21-15-7-2-3-8-16(15)22(17)9-12-13(18)5-4-6-14(12)19/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyARJOOZDHGXVDQN-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525
N-[(1R)-1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 34958984
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
N-[(1R)-1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366479
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2987392
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970127
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 2989675) is N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is CC(NC=O)c1nc2ccccc2n1Cc1c(F)cccc1Cl.
What is the InChIKey of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is ARJOOZDHGXVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O/c1-11(20-10-23)17-21-15-7-2-3-8-16(15)22(17)9-12-13(18)5-4-6-14(12)19/h2-8,10-11H,9H2,1H3,(H,20,23).
What are the key properties of N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 331.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 2989675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).