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

C22H25FN4O2 — CID 46270387

IUPAC3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2C
InChIInChI=1S/C22H25FN4O2/c1-14(2)11-21(28)25-17-7-8-19-18(13-17)26-20(27(19)3)9-10-24-22(29)15-5-4-6-16(23)12-15/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyWGAKSSDUEJEPLI-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.67
Rot. Bonds7

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

3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 46270387) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
PubChem CID46270387
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2C
InChIInChI=1S/C22H25FN4O2/c1-14(2)11-21(28)25-17-7-8-19-18(13-17)26-20(27(19)3)9-10-24-22(29)15-5-4-6-16(23)12-15/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,28)
InChIKeyWGAKSSDUEJEPLI-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.67
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-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
CID 46270397
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-3-nitrobenzamide
CID 4890462
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
N-[2-[1-methyl-5-(2-methylpropanoylamino)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751833
3-fluoro-N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26335912
N-[2-[2-(cyclopentanecarbonylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 46270360

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide (CID 46270387) is 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide is CC(C)CC(=O)Nc1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2C.
What is the InChIKey of 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is WGAKSSDUEJEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14(2)11-21(28)25-17-7-8-19-18(13-17)26-20(27(19)3)9-10-24-22(29)15-5-4-6-16(23)12-15/h4-8,12-14H,9-11H2,1-3H3,(H,24,29)(H,25,28).
What are the key properties of 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide?
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 46270387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).