1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine

C16H26N4 — CID 62494966

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC(C)(C)N(C)C
InChIInChI=1S/C16H26N4/c1-11(2)15-18-13-9-12(17)7-8-14(13)20(15)10-16(3,4)19(5)6/h7-9,11H,10,17H2,1-6H3
InChIKeyVGODOSZFKGMWPE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.08
Rot. Bonds4

About 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine

1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 62494966) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
PubChem CID62494966
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1CC(C)(C)N(C)C
InChIInChI=1S/C16H26N4/c1-11(2)15-18-13-9-12(17)7-8-14(13)20(15)10-16(3,4)19(5)6/h7-9,11H,10,17H2,1-6H3
InChIKeyVGODOSZFKGMWPE-UHFFFAOYSA-N
XLogP3.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.08
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

3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide
CID 106277886
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62508411
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine (CID 62494966) is 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1CC(C)(C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is VGODOSZFKGMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11(2)15-18-13-9-12(17)7-8-14(13)20(15)10-16(3,4)19(5)6/h7-9,11H,10,17H2,1-6H3.
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine?
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 274.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 62494966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).