[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine

C14H21N3S — CID 65038212

IUPAC[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
SMILESCSCc1nc2cc(CN)ccc2n1C(C)(C)C
InChIInChI=1S/C14H21N3S/c1-14(2,3)17-12-6-5-10(8-15)7-11(12)16-13(17)9-18-4/h5-7H,8-9,15H2,1-4H3
InChIKeyCUDUTRDLFZSBFD-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.11
Rot. Bonds3

About [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine

[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine (PubChem CID 65038212) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
PubChem CID65038212
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
SMILESCSCc1nc2cc(CN)ccc2n1C(C)(C)C
InChIInChI=1S/C14H21N3S/c1-14(2,3)17-12-6-5-10(8-15)7-11(12)16-13(17)9-18-4/h5-7H,8-9,15H2,1-4H3
InChIKeyCUDUTRDLFZSBFD-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine (CID 65038212) is [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine is CSCc1nc2cc(CN)ccc2n1C(C)(C)C.
What is the InChIKey of [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine?
The InChIKey is CUDUTRDLFZSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-14(2,3)17-12-6-5-10(8-15)7-11(12)16-13(17)9-18-4/h5-7H,8-9,15H2,1-4H3.
What are the key properties of [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine?
[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).