4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C13H18N4O2 — CID 65298571

IUPAC4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(C)(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(N)=O
InChIInChI=1S/C13H18N4O2/c1-13(2,11(15)18)6-8(14)7-3-4-9-10(5-7)17-12(19)16-9/h3-5,8H,6,14H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyNBLMGMTZYDFQHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.76
Rot. Bonds4

About 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 65298571) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID65298571
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(C)(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(N)=O
InChIInChI=1S/C13H18N4O2/c1-13(2,11(15)18)6-8(14)7-3-4-9-10(5-7)17-12(19)16-9/h3-5,8H,6,14H2,1-2H3,(H2,15,18)(H2,16,17,19)
InChIKeyNBLMGMTZYDFQHW-UHFFFAOYSA-N
XLogP0.76
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3,3-dimethyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 62933664
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322
5-amino-3-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 62935017
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
CID 113319108
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
ethyl 2-[2-amino-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
CID 61328180
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
6-amino-6-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanoic acid
CID 43446952
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 65298571) is 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is CC(C)(CC(N)c1ccc2[nH]c(=O)[nH]c2c1)C(N)=O.
What is the InChIKey of 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is NBLMGMTZYDFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,11(15)18)6-8(14)7-3-4-9-10(5-7)17-12(19)16-9/h3-5,8H,6,14H2,1-2H3,(H2,15,18)(H2,16,17,19).
What are the key properties of 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 262.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 65298571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).