N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide

C19H21FN4O2 — CID 146125808

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C19H21FN4O2/c1-23(12-14-6-8-15(20)9-7-14)18(26)13-24-17-5-3-2-4-16(17)22-19(24)21-10-11-25/h2-9,25H,10-13H2,1H3,(H,21,22)
InChIKeyAUXWQIGSHIMRDW-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.24
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide

N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide (PubChem CID 146125808) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
PubChem CID146125808
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C19H21FN4O2/c1-23(12-14-6-8-15(20)9-7-14)18(26)13-24-17-5-3-2-4-16(17)22-19(24)21-10-11-25/h2-9,25H,10-13H2,1H3,(H,21,22)
InChIKeyAUXWQIGSHIMRDW-UHFFFAOYSA-N
XLogP2.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142202
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide
CID 78881116
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-benzyl-N-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996582
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N-methyl-4-[[methyl-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 40669784
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide (CID 146125808) is N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide is CN(Cc1ccc(F)cc1)C(=O)Cn1c(NCCO)nc2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is AUXWQIGSHIMRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23(12-14-6-8-15(20)9-7-14)18(26)13-24-17-5-3-2-4-16(17)22-19(24)21-10-11-25/h2-9,25H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 356.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 146125808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).