5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole

C18H20N2O — CID 63399466

IUPAC5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc(OC(C)C)c3)[nH]c2cc1C
InChIInChI=1S/C18H20N2O/c1-11(2)21-15-7-5-6-14(10-15)18-19-16-8-12(3)13(4)9-17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyJOISDWYZNKVGML-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds3

About 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole

5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole (PubChem CID 63399466) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
PubChem CID63399466
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc(OC(C)C)c3)[nH]c2cc1C
InChIInChI=1S/C18H20N2O/c1-11(2)21-15-7-5-6-14(10-15)18-19-16-8-12(3)13(4)9-17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyJOISDWYZNKVGML-UHFFFAOYSA-N
XLogP4.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 167767639
5,6-dichloro-2-[3-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 82005562
2-(3-propan-2-yloxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720433
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
6-(furan-2-yl)-2-(3-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026076
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[3-(difluoromethoxy)phenyl]-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137452
2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
CID 46997995
4-[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 157015654

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole (CID 63399466) is 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole is Cc1cc2nc(-c3cccc(OC(C)C)c3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
The InChIKey is JOISDWYZNKVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11(2)21-15-7-5-6-14(10-15)18-19-16-8-12(3)13(4)9-17(16)20-18/h5-11H,1-4H3,(H,19,20).
What are the key properties of 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole?
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 63399466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).