2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole

C25H30N6O — CID 135820292

IUPAC2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
SMILESCOc1cccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c12
InChIInChI=1S/C25H30N6O/c1-32-22-7-5-6-20-23(22)24(29-28-20)25-26-19-9-8-18(16-21(19)27-25)31-14-10-17(11-15-31)30-12-3-2-4-13-30/h5-9,16-17H,2-4,10-15H2,1H3,(H,26,27)(H,28,29)
InChIKeyKQZYETGEWALWHE-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole

2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole (PubChem CID 135820292) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
PubChem CID135820292
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
SMILESCOc1cccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c12
InChIInChI=1S/C25H30N6O/c1-32-22-7-5-6-20-23(22)24(29-28-20)25-26-19-9-8-18(16-21(19)27-25)31-14-10-17(11-15-31)30-12-3-2-4-13-30/h5-9,16-17H,2-4,10-15H2,1H3,(H,26,27)(H,28,29)
InChIKeyKQZYETGEWALWHE-UHFFFAOYSA-N
XLogP4.57
TPSA73.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133151
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-[(5-nitro-2-pyridinyl)oxy]-1H-indazole
CID 135820279
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 22567344
2-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648
3-[1-[2-(5-nitro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 135820273

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole (CID 135820292) is 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole is COc1cccc2[nH]nc(-c3nc4ccc(N5CCC(N6CCCCC6)CC5)cc4[nH]3)c12.
What is the InChIKey of 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
The InChIKey is KQZYETGEWALWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-32-22-7-5-6-20-23(22)24(29-28-20)25-26-19-9-8-18(16-21(19)27-25)31-14-10-17(11-15-31)30-12-3-2-4-13-30/h5-9,16-17H,2-4,10-15H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole?
2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole has a molecular weight of 430.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135820292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).