2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole

C18H18N4O — CID 135900330

IUPAC2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1ccc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2c1
InChIInChI=1S/C18H18N4O/c1-4-23-12-5-6-14-13(9-12)17(22-21-14)18-19-15-7-10(2)11(3)8-16(15)20-18/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyOVQGEYHGACXJLT-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.12
Rot. Bonds3

About 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole

2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 135900330) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID135900330
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCCOc1ccc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2c1
InChIInChI=1S/C18H18N4O/c1-4-23-12-5-6-14-13(9-12)17(22-21-14)18-19-15-7-10(2)11(3)8-16(15)20-18/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyOVQGEYHGACXJLT-UHFFFAOYSA-N
XLogP4.12
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N-(3-imidazol-1-ylpropyl)-3H-benzimidazol-5-amine
CID 135820037
5-ethoxy-1H-indazol-3-amine
CID 21409200
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
CID 137133132
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
2-(2,4-diethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110536356
2-(5-methoxy-1H-indazol-3-yl)-N-(pyridin-2-ylmethyl)-3H-benzimidazol-5-amine
CID 135820215
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
CID 135820320
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole
CID 137133120
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole (CID 135900330) is 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole is CCOc1ccc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2c1.
What is the InChIKey of 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is OVQGEYHGACXJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-4-23-12-5-6-14-13(9-12)17(22-21-14)18-19-15-7-10(2)11(3)8-16(15)20-18/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole?
2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 306.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 135900330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).