2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine

C16H19N3S — CID 62508021

IUPAC2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1Cc1cccs1
InChIInChI=1S/C16H19N3S/c1-16(2,3)15-18-13-9-11(17)6-7-14(13)19(15)10-12-5-4-8-20-12/h4-9H,10,17H2,1-3H3
InChIKeyFJLIBPJRKKVLDG-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.03
Rot. Bonds2

About 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine

2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine (PubChem CID 62508021) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
PubChem CID62508021
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1Cc1cccs1
InChIInChI=1S/C16H19N3S/c1-16(2,3)15-18-13-9-11(17)6-7-14(13)19(15)10-12-5-4-8-20-12/h4-9H,10,17H2,1-3H3
InChIKeyFJLIBPJRKKVLDG-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.03
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 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine (CID 62508021) is 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine is CC(C)(C)c1nc2cc(N)ccc2n1Cc1cccs1.
What is the InChIKey of 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is FJLIBPJRKKVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-16(2,3)15-18-13-9-11(17)6-7-14(13)19(15)10-12-5-4-8-20-12/h4-9H,10,17H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine?
2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 285.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 62508021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).