2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide

C19H21FN4O — CID 135101659

IUPAC2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CCc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C19H21FN4O/c1-13-4-3-5-15(10-13)21-19(25)12-24(2)9-8-18-22-16-7-6-14(20)11-17(16)23-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHGIJKOMYMKTOEE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.12
Rot. Bonds6

About 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide

2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 135101659) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
PubChem CID135101659
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CCc2nc3ccc(F)cc3[nH]2)c1
InChIInChI=1S/C19H21FN4O/c1-13-4-3-5-15(10-13)21-19(25)12-24(2)9-8-18-22-16-7-6-14(20)11-17(16)23-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHGIJKOMYMKTOEE-UHFFFAOYSA-N
XLogP3.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
1-(3-acetylphenyl)-3-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 91659482
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
CID 155114131
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
CID 143212121
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
3-[2-(1H-benzimidazol-2-yl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 91829450
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3887370
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide (CID 135101659) is 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CCc2nc3ccc(F)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is HGIJKOMYMKTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-4-3-5-15(10-13)21-19(25)12-24(2)9-8-18-22-16-7-6-14(20)11-17(16)23-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide?
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 135101659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).