3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole

C18H14N6O — CID 135820320

IUPAC3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(-n5ccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C18H14N6O/c1-25-12-3-5-14-13(9-12)17(23-22-14)18-20-15-4-2-11(8-16(15)21-18)24-7-6-19-10-24/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyOASLLWUZSLMFOF-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.30
Rot. Bonds3

About 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole

3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole (PubChem CID 135820320) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
PubChem CID135820320
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(-n5ccnc5)cc4[nH]3)c2c1
InChIInChI=1S/C18H14N6O/c1-25-12-3-5-14-13(9-12)17(23-22-14)18-20-15-4-2-11(8-16(15)21-18)24-7-6-19-10-24/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyOASLLWUZSLMFOF-UHFFFAOYSA-N
XLogP3.30
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile
CID 135820118
1-[4-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 154053542
6-imidazol-1-yl-2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole;dihydrochloride
CID 19348089
6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 10108323
2-(5-ethoxy-1H-indazol-3-yl)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
N-(3-imidazol-1-ylpropyl)-2-(5-propan-2-yloxy-1H-indazol-3-yl)-3H-benzimidazol-5-amine
CID 135820421
6-imidazol-1-yl-2-(2-methoxy-4-methylsulfanylphenyl)-1H-benzimidazole
CID 10449675
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135900330
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole?
The IUPAC name of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole (CID 135820320) is 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole.
What is the SMILES notation for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole?
The canonical SMILES for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole is COc1ccc2[nH]nc(-c3nc4ccc(-n5ccnc5)cc4[nH]3)c2c1.
What is the InChIKey of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole?
The InChIKey is OASLLWUZSLMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c1-25-12-3-5-14-13(9-12)17(23-22-14)18-20-15-4-2-11(8-16(15)21-18)24-7-6-19-10-24/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole?
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole has a molecular weight of 330.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole is sourced from PubChem (CID 135820320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).