(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine

C16H25N3 — CID 65037847

IUPAC(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
SMILESCCCC(C)c1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C16H25N3/c1-5-6-12(4)16-18-14-9-13(10-17)7-8-15(14)19(16)11(2)3/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyLLYOAOZBUOHUTC-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.98
Rot. Bonds5

About (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine

(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine (PubChem CID 65037847) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
PubChem CID65037847
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine
SMILESCCCC(C)c1nc2cc(CN)ccc2n1C(C)C
InChIInChI=1S/C16H25N3/c1-5-6-12(4)16-18-14-9-13(10-17)7-8-15(14)19(16)11(2)3/h7-9,11-12H,5-6,10,17H2,1-4H3
InChIKeyLLYOAOZBUOHUTC-UHFFFAOYSA-N
XLogP3.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine (CID 65037847) is (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine is CCCC(C)c1nc2cc(CN)ccc2n1C(C)C.
What is the InChIKey of (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
The InChIKey is LLYOAOZBUOHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-6-12(4)16-18-14-9-13(10-17)7-8-15(14)19(16)11(2)3/h7-9,11-12H,5-6,10,17H2,1-4H3.
What are the key properties of (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine?
(2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentan-2-yl-1-propan-2-ylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65037847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).