2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide

C25H23FN4O2 — CID 50751442

IUPAC2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)c1
InChIInChI=1S/C25H23FN4O2/c1-16-6-5-7-17(14-16)24(31)28-18-10-11-22-21(15-18)29-23(30(22)2)12-13-27-25(32)19-8-3-4-9-20(19)26/h3-11,14-15H,12-13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyMOZAGTFKPQNUPS-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.25
Rot. Bonds6

About 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide

2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 50751442) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
PubChem CID50751442
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)c1
InChIInChI=1S/C25H23FN4O2/c1-16-6-5-7-17(14-16)24(31)28-18-10-11-22-21(15-18)29-23(30(22)2)12-13-27-25(32)19-8-3-4-9-20(19)26/h3-11,14-15H,12-13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyMOZAGTFKPQNUPS-UHFFFAOYSA-N
XLogP4.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46270391
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 17218650
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]benzamide
CID 4890224
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4890462
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide (CID 50751442) is 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2ccccc2F)n3C)c1.
What is the InChIKey of 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is MOZAGTFKPQNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-6-5-7-17(14-16)24(31)28-18-10-11-22-21(15-18)29-23(30(22)2)12-13-27-25(32)19-8-3-4-9-20(19)26/h3-11,14-15H,12-13H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide?
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 4.25, 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-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 50751442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).