(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine

C17H27N3 — CID 65037779

IUPAC(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
SMILESCCCC(C)c1nc2cc(CN)ccc2n1C(C)(C)C
InChIInChI=1S/C17H27N3/c1-6-7-12(2)16-19-14-10-13(11-18)8-9-15(14)20(16)17(3,4)5/h8-10,12H,6-7,11,18H2,1-5H3
InChIKeyNSIZAFHBPBXVRW-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.15
Rot. Bonds4

About (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine

(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine (PubChem CID 65037779) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
PubChem CID65037779
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
SMILESCCCC(C)c1nc2cc(CN)ccc2n1C(C)(C)C
InChIInChI=1S/C17H27N3/c1-6-7-12(2)16-19-14-10-13(11-18)8-9-15(14)20(16)17(3,4)5/h8-10,12H,6-7,11,18H2,1-5H3
InChIKeyNSIZAFHBPBXVRW-UHFFFAOYSA-N
XLogP4.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine?
The IUPAC name of (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine (CID 65037779) is (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine is CCCC(C)c1nc2cc(CN)ccc2n1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine?
The InChIKey is NSIZAFHBPBXVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-6-7-12(2)16-19-14-10-13(11-18)8-9-15(14)20(16)17(3,4)5/h8-10,12H,6-7,11,18H2,1-5H3.
What are the key properties of (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine?
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65037779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).