6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole

C22H18N4O2 — CID 135804573

IUPAC6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole
SMILESCOc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-19-10-8-14(12-20(19)28-2)13-7-9-17-18(11-13)24-22(23-17)21-15-5-3-4-6-16(15)25-26-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyNNWVZLVAOJBVKG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.79
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole

6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole (PubChem CID 135804573) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole
PubChem CID135804573
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole
SMILESCOc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-19-10-8-14(12-20(19)28-2)13-7-9-17-18(11-13)24-22(23-17)21-15-5-3-4-6-16(15)25-26-21/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyNNWVZLVAOJBVKG-UHFFFAOYSA-N
XLogP4.79
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole (CID 135804573) is 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole is COc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole?
The InChIKey is NNWVZLVAOJBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-19-10-8-14(12-20(19)28-2)13-7-9-17-18(11-13)24-22(23-17)21-15-5-3-4-6-16(15)25-26-21/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole?
6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole has a molecular weight of 370.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-(1H-indazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 135804573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).