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

C24H21BrN4O2 — CID 112832627

IUPAC3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C24H21BrN4O2/c1-16-27-21-10-2-3-11-22(21)29(16)13-12-26-23(30)18-7-5-9-20(15-18)28-24(31)17-6-4-8-19(25)14-17/h2-11,14-15H,12-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyFQXUZYPRNRWLII-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.79
Rot. Bonds6

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

3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 112832627) has the molecular formula C24H21BrN4O2 and a molecular weight of 477.36 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID112832627
Molecular FormulaC24H21BrN4O2
Molecular Weight477.36 g/mol
Exact Mass476.08
IUPAC Name3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C24H21BrN4O2/c1-16-27-21-10-2-3-11-22(21)29(16)13-12-26-23(30)18-7-5-9-20(15-18)28-24(31)17-6-4-8-19(25)14-17/h2-11,14-15H,12-13H2,1H3,(H,26,30)(H,28,31)
InChIKeyFQXUZYPRNRWLII-UHFFFAOYSA-N
XLogP4.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]thiourea
CID 9237587
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 51277941
3-benzamido-4-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55634219
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide (CID 112832627) is 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is Cc1nc2ccccc2n1CCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is FQXUZYPRNRWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O2/c1-16-27-21-10-2-3-11-22(21)29(16)13-12-26-23(30)18-7-5-9-20(15-18)28-24(31)17-6-4-8-19(25)14-17/h2-11,14-15H,12-13H2,1H3,(H,26,30)(H,28,31).
What are the key properties of 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide?
3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 477.36 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 112832627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).