6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole

C17H18N2O — CID 19224771

IUPAC6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1
InChIInChI=1S/C17H18N2O/c1-11(2)20-14-6-4-5-13(10-14)17-18-15-8-7-12(3)9-16(15)19-17/h4-11H,1-3H3,(H,18,19)
InChIKeyJRTILIIKIDSHLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.33
Rot. Bonds3

About 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole

6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole (PubChem CID 19224771) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
PubChem CID19224771
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1
InChIInChI=1S/C17H18N2O/c1-11(2)20-14-6-4-5-13(10-14)17-18-15-8-7-12(3)9-16(15)19-17/h4-11H,1-3H3,(H,18,19)
InChIKeyJRTILIIKIDSHLX-UHFFFAOYSA-N
XLogP4.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole (CID 19224771) is 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole is Cc1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The InChIKey is JRTILIIKIDSHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(2)20-14-6-4-5-13(10-14)17-18-15-8-7-12(3)9-16(15)19-17/h4-11H,1-3H3,(H,18,19).
What are the key properties of 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 19224771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).