(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine

C16H19N5 — CID 104672949

IUPAC(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine
SMILESCC(C)(C)n1c(-c2ccnnc2)nc2cc(CN)ccc21
InChIInChI=1S/C16H19N5/c1-16(2,3)21-14-5-4-11(9-17)8-13(14)20-15(21)12-6-7-18-19-10-12/h4-8,10H,9,17H2,1-3H3
InChIKeyAUIOWOGNGDEGGS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds2

About (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine

(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine (PubChem CID 104672949) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine
PubChem CID104672949
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine
SMILESCC(C)(C)n1c(-c2ccnnc2)nc2cc(CN)ccc21
InChIInChI=1S/C16H19N5/c1-16(2,3)21-14-5-4-11(9-17)8-13(14)20-15(21)12-6-7-18-19-10-12/h4-8,10H,9,17H2,1-3H3
InChIKeyAUIOWOGNGDEGGS-UHFFFAOYSA-N
XLogP2.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-tert-butyl-2-(5-chlorofuran-2-yl)benzimidazol-5-yl]methanamine
CID 106690306
(1-propyl-2-pyridin-4-ylbenzimidazol-5-yl)methanamine
CID 65038224
[1-tert-butyl-2-(methylsulfanylmethyl)benzimidazol-5-yl]methanamine
CID 65038212
3-[5-(aminomethyl)-1-tert-butylbenzimidazol-2-yl]propan-1-ol
CID 79200194
(1-tert-butyl-2-pentan-2-ylbenzimidazol-5-yl)methanamine
CID 65037779
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
[1-methyl-2-(3,4,5-trifluorophenyl)benzimidazol-5-yl]methanamine
CID 65037693
[2-(3-chloro-4-pyridinyl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 66473098
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
[2-(4-tert-butylthiadiazol-5-yl)-1-methylbenzimidazol-5-yl]methanamine
CID 65207947
[2-(5-iodothiophen-3-yl)-1-propan-2-ylbenzimidazol-5-yl]methanamine
CID 79690117

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine?
The IUPAC name of (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine (CID 104672949) is (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine is CC(C)(C)n1c(-c2ccnnc2)nc2cc(CN)ccc21.
What is the InChIKey of (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine?
The InChIKey is AUIOWOGNGDEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-16(2,3)21-14-5-4-11(9-17)8-13(14)20-15(21)12-6-7-18-19-10-12/h4-8,10H,9,17H2,1-3H3.
What are the key properties of (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine?
(1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-2-pyridazin-4-ylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 104672949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).