N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide

C19H21FN4O2 — CID 92852670

IUPACN-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
SMILESC[C@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-13(25)10-22-19-23-16-4-2-3-5-17(16)24(19)12-18(26)21-11-14-6-8-15(20)9-7-14/h2-9,13,25H,10-12H2,1H3,(H,21,26)(H,22,23)/t13-/m0/s1
InChIKeyROVLHPGIELFUBS-ZDUSSCGKSA-N
MW356.40 g/mol
LogP2.28
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide (PubChem CID 92852670) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
PubChem CID92852670
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
SMILESC[C@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c1-13(25)10-22-19-23-16-4-2-3-5-17(16)24(19)12-18(26)21-11-14-6-8-15(20)9-7-14/h2-9,13,25H,10-12H2,1H3,(H,21,26)(H,22,23)/t13-/m0/s1
InChIKeyROVLHPGIELFUBS-ZDUSSCGKSA-N
XLogP2.28
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033340
N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 17033006

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide (CID 92852670) is N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide is C[C@H](O)CNc1nc2ccccc2n1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide?
The InChIKey is ROVLHPGIELFUBS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-13(25)10-22-19-23-16-4-2-3-5-17(16)24(19)12-18(26)21-11-14-6-8-15(20)9-7-14/h2-9,13,25H,10-12H2,1H3,(H,21,26)(H,22,23)/t13-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 92852670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).