N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

C25H23FN4O2 — CID 46270391

IUPACN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccc(F)c2)n3C)c1
InChIInChI=1S/C25H23FN4O2/c1-16-5-3-6-17(13-16)25(32)28-20-9-10-22-21(15-20)29-23(30(22)2)11-12-27-24(31)18-7-4-8-19(26)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyXKZMSBLRZCYQRR-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.25
Rot. Bonds6

About N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide

N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (PubChem CID 46270391) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
PubChem CID46270391
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccc(F)c2)n3C)c1
InChIInChI=1S/C25H23FN4O2/c1-16-5-3-6-17(13-16)25(32)28-20-9-10-22-21(15-20)29-23(30(22)2)11-12-27-24(31)18-7-4-8-19(26)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyXKZMSBLRZCYQRR-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

2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
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-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
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-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide (CID 46270391) is N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CCNC(=O)c2cccc(F)c2)n3C)c1.
What is the InChIKey of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
The InChIKey is XKZMSBLRZCYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-16-5-3-6-17(13-16)25(32)28-20-9-10-22-21(15-20)29-23(30(22)2)11-12-27-24(31)18-7-4-8-19(26)14-18/h3-10,13-15H,11-12H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide?
N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide 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 N-[2-[2-[(3-fluorobenzoyl)amino]ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide is sourced from PubChem (CID 46270391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).