[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine

C15H17N5 — CID 104721029

IUPAC[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
SMILESCCc1nnc(C)cc1-c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C15H17N5/c1-3-12-11(7-9(2)19-20-12)15-17-13-6-4-5-10(8-16)14(13)18-15/h4-7H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyGJFCDUIKDSCVCM-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.35
Rot. Bonds3

About [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine

[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721029) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721029
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
SMILESCCc1nnc(C)cc1-c1nc2c(CN)cccc2[nH]1
InChIInChI=1S/C15H17N5/c1-3-12-11(7-9(2)19-20-12)15-17-13-6-4-5-10(8-16)14(13)18-15/h4-7H,3,8,16H2,1-2H3,(H,17,18)
InChIKeyGJFCDUIKDSCVCM-UHFFFAOYSA-N
XLogP2.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole
CID 104671005
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721162
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(2-methoxy-3-pyridinyl)-1H-benzimidazol-4-yl]methanamine
CID 104721137
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
CID 104671016

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine (CID 104721029) is [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine is CCc1nnc(C)cc1-c1nc2c(CN)cccc2[nH]1.
What is the InChIKey of [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is GJFCDUIKDSCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-12-11(7-9(2)19-20-12)15-17-13-6-4-5-10(8-16)14(13)18-15/h4-7H,3,8,16H2,1-2H3,(H,17,18).
What are the key properties of [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine?
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).