2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine

C16H20N4S — CID 62508064

IUPAC2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine
SMILESCc1csc(Cn2c(C(C)(C)C)nc3cc(N)ccc32)n1
InChIInChI=1S/C16H20N4S/c1-10-9-21-14(18-10)8-20-13-6-5-11(17)7-12(13)19-15(20)16(2,3)4/h5-7,9H,8,17H2,1-4H3
InChIKeyIKCGLTCQUNNNPW-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.73
Rot. Bonds2

About 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine

2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine (PubChem CID 62508064) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine
PubChem CID62508064
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine
SMILESCc1csc(Cn2c(C(C)(C)C)nc3cc(N)ccc32)n1
InChIInChI=1S/C16H20N4S/c1-10-9-21-14(18-10)8-20-13-6-5-11(17)7-12(13)19-15(20)16(2,3)4/h5-7,9H,8,17H2,1-4H3
InChIKeyIKCGLTCQUNNNPW-UHFFFAOYSA-N
XLogP3.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine (CID 62508064) is 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine is Cc1csc(Cn2c(C(C)(C)C)nc3cc(N)ccc32)n1.
What is the InChIKey of 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine?
The InChIKey is IKCGLTCQUNNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-10-9-21-14(18-10)8-20-13-6-5-11(17)7-12(13)19-15(20)16(2,3)4/h5-7,9H,8,17H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine?
2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine has a molecular weight of 300.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 62508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).