1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine

C14H22N4 — CID 62507833

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine
SMILESCN(C)CC(C)(C)Cn1cnc2cc(N)ccc21
InChIInChI=1S/C14H22N4/c1-14(2,8-17(3)4)9-18-10-16-12-7-11(15)5-6-13(12)18/h5-7,10H,8-9,15H2,1-4H3
InChIKeyWLNZDASKWDHODH-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.21
Rot. Bonds4

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine

1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine (PubChem CID 62507833) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine
PubChem CID62507833
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine
SMILESCN(C)CC(C)(C)Cn1cnc2cc(N)ccc21
InChIInChI=1S/C14H22N4/c1-14(2,8-17(3)4)9-18-10-16-12-7-11(15)5-6-13(12)18/h5-7,10H,8-9,15H2,1-4H3
InChIKeyWLNZDASKWDHODH-UHFFFAOYSA-N
XLogP2.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine (CID 62507833) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine is CN(C)CC(C)(C)Cn1cnc2cc(N)ccc21.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine?
The InChIKey is WLNZDASKWDHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-14(2,8-17(3)4)9-18-10-16-12-7-11(15)5-6-13(12)18/h5-7,10H,8-9,15H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine?
1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine has a molecular weight of 246.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]benzimidazol-5-amine is sourced from PubChem (CID 62507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).