N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide

C23H20FN3O — CID 42263428

IUPACN-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
SMILESC[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C23H20FN3O/c1-16(26(2)23(28)19-7-3-4-8-20(19)24)17-11-13-18(14-12-17)27-15-25-21-9-5-6-10-22(21)27/h3-16H,1-2H3/t16-/m1/s1
InChIKeyHDWVEZKWJRNVRA-MRXNPFEDSA-N
MW373.43 g/mol
LogP5.00
Rot. Bonds4

About N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide

N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide (PubChem CID 42263428) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
PubChem CID42263428
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
SMILESC[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C23H20FN3O/c1-16(26(2)23(28)19-7-3-4-8-20(19)24)17-11-13-18(14-12-17)27-15-25-21-9-5-6-10-22(21)27/h3-16H,1-2H3/t16-/m1/s1
InChIKeyHDWVEZKWJRNVRA-MRXNPFEDSA-N
XLogP5.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86975244
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 24612469
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 86887747
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 18150595
2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715717
N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 40795865

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide (CID 42263428) is N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide is C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccccc1F.
What is the InChIKey of N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide?
The InChIKey is HDWVEZKWJRNVRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-16(26(2)23(28)19-7-3-4-8-20(19)24)17-11-13-18(14-12-17)27-15-25-21-9-5-6-10-22(21)27/h3-16H,1-2H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide?
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide has a molecular weight of 373.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 42263428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).