2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide

C16H24N4O — CID 103113457

IUPAC2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-6-19(5)16(21)11(4)20-14-8-7-12(17)9-13(14)18-15(20)10(2)3/h7-11H,6,17H2,1-5H3
InChIKeyROJPAMGQLOSZOC-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.78
Rot. Bonds4

About 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide

2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide (PubChem CID 103113457) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
PubChem CID103113457
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-6-19(5)16(21)11(4)20-14-8-7-12(17)9-13(14)18-15(20)10(2)3/h7-11H,6,17H2,1-5H3
InChIKeyROJPAMGQLOSZOC-UHFFFAOYSA-N
XLogP2.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113458
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 62493100
2-[2-(1-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112330
1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 63498284
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
CID 103111205

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide (CID 103113457) is 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)n1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
The InChIKey is ROJPAMGQLOSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-19(5)16(21)11(4)20-14-8-7-12(17)9-13(14)18-15(20)10(2)3/h7-11H,6,17H2,1-5H3.
What are the key properties of 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide?
2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide has a molecular weight of 288.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).