N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide

C18H24BrN3O — CID 71468624

IUPACN-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(n2cnc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H24BrN3O/c1-18(2,3)17(23)21-13-5-7-14(8-6-13)22-11-20-15-10-12(19)4-9-16(15)22/h4,9-11,13-14H,5-8H2,1-3H3,(H,21,23)
InChIKeyGQCLAJTYSQBTHB-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.44
Rot. Bonds2

About N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide

N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide (PubChem CID 71468624) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide
PubChem CID71468624
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC NameN-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(n2cnc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H24BrN3O/c1-18(2,3)17(23)21-13-5-7-14(8-6-13)22-11-20-15-10-12(19)4-9-16(15)22/h4,9-11,13-14H,5-8H2,1-3H3,(H,21,23)
InChIKeyGQCLAJTYSQBTHB-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide (CID 71468624) is N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCC(n2cnc3cc(Br)ccc32)CC1.
What is the InChIKey of N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is GQCLAJTYSQBTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-18(2,3)17(23)21-13-5-7-14(8-6-13)22-11-20-15-10-12(19)4-9-16(15)22/h4,9-11,13-14H,5-8H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide?
N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 378.31 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71468624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).