1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole

C18H21N5 — CID 175657666

IUPAC1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc(CC2CCCNCC2)nn1
InChIInChI=1S/C18H21N5/c1-2-6-17-16(5-1)20-13-23(17)18-8-7-15(21-22-18)12-14-4-3-10-19-11-9-14/h1-2,5-8,13-14,19H,3-4,9-12H2
InChIKeyOYALDILVMSVXNV-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.75
Rot. Bonds3

About 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole

1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole (PubChem CID 175657666) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole
PubChem CID175657666
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole
SMILESc1ccc2c(c1)ncn2-c1ccc(CC2CCCNCC2)nn1
InChIInChI=1S/C18H21N5/c1-2-6-17-16(5-1)20-13-23(17)18-8-7-15(21-22-18)12-14-4-3-10-19-11-9-14/h1-2,5-8,13-14,19H,3-4,9-12H2
InChIKeyOYALDILVMSVXNV-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole?
The IUPAC name of 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole (CID 175657666) is 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole.
What is the SMILES notation for 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole?
The canonical SMILES for 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole is c1ccc2c(c1)ncn2-c1ccc(CC2CCCNCC2)nn1.
What is the InChIKey of 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole?
The InChIKey is OYALDILVMSVXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-6-17-16(5-1)20-13-23(17)18-8-7-15(21-22-18)12-14-4-3-10-19-11-9-14/h1-2,5-8,13-14,19H,3-4,9-12H2.
What are the key properties of 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole?
1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azepan-4-ylmethyl)pyridazin-3-yl]benzimidazole is sourced from PubChem (CID 175657666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).