4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine

C13H19N3 — CID 65246957

IUPAC4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCn1cnc2ccccc21
InChIInChI=1S/C13H19N3/c1-13(2,9-14)7-8-16-10-15-11-5-3-4-6-12(11)16/h3-6,10H,7-9,14H2,1-2H3
InChIKeyPLEDMPHRLRGTDT-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.41
Rot. Bonds4

About 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine

4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65246957) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID65246957
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCn1cnc2ccccc21
InChIInChI=1S/C13H19N3/c1-13(2,9-14)7-8-16-10-15-11-5-3-4-6-12(11)16/h3-6,10H,7-9,14H2,1-2H3
InChIKeyPLEDMPHRLRGTDT-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine (CID 65246957) is 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCn1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is PLEDMPHRLRGTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(2,9-14)7-8-16-10-15-11-5-3-4-6-12(11)16/h3-6,10H,7-9,14H2,1-2H3.
What are the key properties of 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine?
4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65246957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).