2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide

C24H19Cl2N3O2 — CID 67636495

IUPAC2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
SMILESCCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C24H19Cl2N3O2/c1-2-21-28-23-18(27-24(31)22-16(25)10-6-11-17(22)26)12-7-13-19(23)29(21)14-20(30)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,27,31)
InChIKeyBDRSZWPGAKAPPQ-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.04
Rot. Bonds6

About 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide

2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide (PubChem CID 67636495) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
PubChem CID67636495
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
SMILESCCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C24H19Cl2N3O2/c1-2-21-28-23-18(27-24(31)22-16(25)10-6-11-17(22)26)12-7-13-19(23)29(21)14-20(30)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,27,31)
InChIKeyBDRSZWPGAKAPPQ-UHFFFAOYSA-N
XLogP6.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
CID 67651985
2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
CID 67627824
2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
CID 67637912
2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
CID 54430863
2,6-dichloro-N-[2-cyano-1-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]benzimidazol-4-yl]benzamide
CID 139815633
2-chloro-N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]benzamide
CID 16976181
2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
CID 139815618
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 104838622
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 104837307
2-chloro-N-[3-(1-phenacylbenzimidazol-2-yl)propyl]benzamide
CID 16982819
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide (CID 67636495) is 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide is CCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide?
The InChIKey is BDRSZWPGAKAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-2-21-28-23-18(27-24(31)22-16(25)10-6-11-17(22)26)12-7-13-19(23)29(21)14-20(30)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,27,31).
What are the key properties of 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide?
2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide has a molecular weight of 452.34 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide is sourced from PubChem (CID 67636495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).