N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide

C18H28N4O2 — CID 144530614

IUPACN-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc2c(c1)nc(N)n2CCC(C)(C)O
InChIInChI=1S/C18H28N4O2/c1-6-17(2,3)15(23)20-12-7-8-14-13(11-12)21-16(19)22(14)10-9-18(4,5)24/h7-8,11,24H,6,9-10H2,1-5H3,(H2,19,21)(H,20,23)
InChIKeyWPRQTEKHMATNQF-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.15
Rot. Bonds6

About N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide

N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide (PubChem CID 144530614) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide
PubChem CID144530614
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc2c(c1)nc(N)n2CCC(C)(C)O
InChIInChI=1S/C18H28N4O2/c1-6-17(2,3)15(23)20-12-7-8-14-13(11-12)21-16(19)22(14)10-9-18(4,5)24/h7-8,11,24H,6,9-10H2,1-5H3,(H2,19,21)(H,20,23)
InChIKeyWPRQTEKHMATNQF-UHFFFAOYSA-N
XLogP3.15
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide (CID 144530614) is N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc2c(c1)nc(N)n2CCC(C)(C)O.
What is the InChIKey of N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide?
The InChIKey is WPRQTEKHMATNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-6-17(2,3)15(23)20-12-7-8-14-13(11-12)21-16(19)22(14)10-9-18(4,5)24/h7-8,11,24H,6,9-10H2,1-5H3,(H2,19,21)(H,20,23).
What are the key properties of N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide?
N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 144530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).