N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

C17H16FN3O — CID 7366525

IUPACN-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(19-11-22)17-20-15-4-2-3-5-16(15)21(17)10-13-6-8-14(18)9-7-13/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyXUGMIVOKGHRUIL-GFCCVEGCSA-N
MW297.33 g/mol
LogP3.03
Rot. Bonds5

About N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide

N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 7366525) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID7366525
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O/c1-12(19-11-22)17-20-15-4-2-3-5-16(15)21(17)10-13-6-8-14(18)9-7-13/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyXUGMIVOKGHRUIL-GFCCVEGCSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.03
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-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2989675
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
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
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
CID 7366372
1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
CID 72702181
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide (CID 7366525) is N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is C[C@@H](NC=O)c1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is XUGMIVOKGHRUIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12(19-11-22)17-20-15-4-2-3-5-16(15)21(17)10-13-6-8-14(18)9-7-13/h2-9,11-12H,10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide?
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 297.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 7366525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).