2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide

C19H19FN4O2 — CID 17395811

IUPAC2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C19H19FN4O2/c1-13-23-16-8-4-5-9-17(16)24(13)11-10-21-18(25)12-22-19(26)14-6-2-3-7-15(14)20/h2-9H,10-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyWZVPJSXQKRBRAJ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.03
Rot. Bonds6

About 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 17395811) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
PubChem CID17395811
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C19H19FN4O2/c1-13-23-16-8-4-5-9-17(16)24(13)11-10-21-18(25)12-22-19(26)14-6-2-3-7-15(14)20/h2-9H,10-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyWZVPJSXQKRBRAJ-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 24554267
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24554264
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide (CID 17395811) is 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide is Cc1nc2ccccc2n1CCNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is WZVPJSXQKRBRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-23-16-8-4-5-9-17(16)24(13)11-10-21-18(25)12-22-19(26)14-6-2-3-7-15(14)20/h2-9H,10-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 354.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17395811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).