2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole

C23H23N5O — CID 108776236

IUPAC2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C23H23N5O/c1-29-18-8-6-16(7-9-18)19-10-11-22(27-26-19)28-14-12-17(13-15-28)23-24-20-4-2-3-5-21(20)25-23/h2-11,17H,12-15H2,1H3,(H,24,25)
InChIKeyOOBZJPFATLEHFW-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.41
Rot. Bonds4

About 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole

2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 108776236) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
PubChem CID108776236
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn2)cc1
InChIInChI=1S/C23H23N5O/c1-29-18-8-6-16(7-9-18)19-10-11-22(27-26-19)28-14-12-17(13-15-28)23-24-20-4-2-3-5-21(20)25-23/h2-11,17H,12-15H2,1H3,(H,24,25)
InChIKeyOOBZJPFATLEHFW-UHFFFAOYSA-N
XLogP4.41
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-benzimidazole
CID 133488992
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
3-(4-methoxyphenyl)-6-(3-methoxypyrrolidin-1-yl)pyridazine
CID 108773106
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 60520703
1H-indol-2-yl-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121060220
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 139028312
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
N-cyclopentyl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361225

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole (CID 108776236) is 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole is COc1ccc(-c2ccc(N3CCC(c4nc5ccccc5[nH]4)CC3)nn2)cc1.
What is the InChIKey of 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is OOBZJPFATLEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-18-8-6-16(7-9-18)19-10-11-22(27-26-19)28-14-12-17(13-15-28)23-24-20-4-2-3-5-21(20)25-23/h2-11,17H,12-15H2,1H3,(H,24,25).
What are the key properties of 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 385.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 108776236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).