N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C18H27N3O3 — CID 110000464

IUPACN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCCO)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H27N3O3/c1-18(2,3)13-20(10-7-11-22)16(23)12-21-15-9-6-5-8-14(15)19(4)17(21)24/h5-6,8-9,22H,7,10-13H2,1-4H3
InChIKeyUWYLCXONFYEQLW-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.60
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 110000464) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID110000464
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(CCCO)CC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H27N3O3/c1-18(2,3)13-20(10-7-11-22)16(23)12-21-15-9-6-5-8-14(15)19(4)17(21)24/h5-6,8-9,22H,7,10-13H2,1-4H3
InChIKeyUWYLCXONFYEQLW-UHFFFAOYSA-N
XLogP1.60
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 110000464) is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)N(CCCO)CC(C)(C)C)c2ccccc21.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is UWYLCXONFYEQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)13-20(10-7-11-22)16(23)12-21-15-9-6-5-8-14(15)19(4)17(21)24/h5-6,8-9,22H,7,10-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 110000464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).