N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide

C18H18BrN3O2 — CID 2978356

IUPACN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CCc3ccccc3)c(Br)cc21
InChIInChI=1S/C18H18BrN3O2/c1-21-15-10-13(19)14(11-16(15)22(2)18(21)24)20-17(23)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyRXKJIZQDYNKMMM-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.21
Rot. Bonds4

About N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide

N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide (PubChem CID 2978356) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide
PubChem CID2978356
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CCc3ccccc3)c(Br)cc21
InChIInChI=1S/C18H18BrN3O2/c1-21-15-10-13(19)14(11-16(15)22(2)18(21)24)20-17(23)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyRXKJIZQDYNKMMM-UHFFFAOYSA-N
XLogP3.21
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide (CID 2978356) is N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide is Cn1c(=O)n(C)c2cc(NC(=O)CCc3ccccc3)c(Br)cc21.
What is the InChIKey of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide?
The InChIKey is RXKJIZQDYNKMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-21-15-10-13(19)14(11-16(15)22(2)18(21)24)20-17(23)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide?
N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide has a molecular weight of 388.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 2978356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).