N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide

C24H20BrFN4O2 — CID 46270397

IUPACN-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C24H20BrFN4O2/c1-30-21-9-8-19(28-24(32)15-4-2-6-17(25)12-15)14-20(21)29-22(30)10-11-27-23(31)16-5-3-7-18(26)13-16/h2-9,12-14H,10-11H2,1H3,(H,27,31)(H,28,32)
InChIKeyZPDSLPMAGZHVCQ-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.70
Rot. Bonds6

About N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide

N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide (PubChem CID 46270397) has the molecular formula C24H20BrFN4O2 and a molecular weight of 495.35 g/mol. Its IUPAC name is N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
PubChem CID46270397
Molecular FormulaC24H20BrFN4O2
Molecular Weight495.35 g/mol
Exact Mass494.08
IUPAC NameN-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide
SMILESCn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21
InChIInChI=1S/C24H20BrFN4O2/c1-30-21-9-8-19(28-24(32)15-4-2-6-17(25)12-15)14-20(21)29-22(30)10-11-27-23(31)16-5-3-7-18(26)13-16/h2-9,12-14H,10-11H2,1H3,(H,27,31)(H,28,32)
InChIKeyZPDSLPMAGZHVCQ-UHFFFAOYSA-N
XLogP4.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.70
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
3-fluoro-N-[2-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]ethyl]benzamide
CID 46270387
2-fluoro-N-[2-[1-methyl-5-[(3-methylbenzoyl)amino]benzimidazol-2-yl]ethyl]benzamide
CID 50751442
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
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
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
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide (CID 46270397) is N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide is Cn1c(CCNC(=O)c2cccc(F)c2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21.
What is the InChIKey of N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide?
The InChIKey is ZPDSLPMAGZHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN4O2/c1-30-21-9-8-19(28-24(32)15-4-2-6-17(25)12-15)14-20(21)29-22(30)10-11-27-23(31)16-5-3-7-18(26)13-16/h2-9,12-14H,10-11H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide?
N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide has a molecular weight of 495.35 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-bromobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 46270397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).