[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine

C15H19N5S — CID 65207947

IUPAC[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2snnc2C(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C15H19N5S/c1-15(2,3)13-12(21-19-18-13)14-17-10-7-9(8-16)5-6-11(10)20(14)4/h5-7H,8,16H2,1-4H3
InChIKeyDBYZHFZCFCRNLE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.85
Rot. Bonds2

About [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine

[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65207947) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65207947
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(-c2snnc2C(C)(C)C)nc2cc(CN)ccc21
InChIInChI=1S/C15H19N5S/c1-15(2,3)13-12(21-19-18-13)14-17-10-7-9(8-16)5-6-11(10)20(14)4/h5-7H,8,16H2,1-4H3
InChIKeyDBYZHFZCFCRNLE-UHFFFAOYSA-N
XLogP2.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040476
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040719
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
[1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]benzimidazol-5-yl]methanamine
CID 112605673
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65207796
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 65210202
[2-(2-chloro-6-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040058
[2-(4-bromo-2-fluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65037738
1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile
CID 65203764
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
[2-(3-bromo-4-methoxyphenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040239

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine (CID 65207947) is [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine is Cn1c(-c2snnc2C(C)(C)C)nc2cc(CN)ccc21.
What is the InChIKey of [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is DBYZHFZCFCRNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-15(2,3)13-12(21-19-18-13)14-17-10-7-9(8-16)5-6-11(10)20(14)4/h5-7H,8,16H2,1-4H3.
What are the key properties of [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine?
[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 301.42 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65207947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).