2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole

C18H20N2O2 — CID 168554553

IUPAC2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
SMILESCCC(C)Oc1c(OC)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N2O2/c1-4-12(2)22-17-13(8-7-11-16(17)21-3)18-19-14-9-5-6-10-15(14)20-18/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeyURXFKBFJNAGETQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.42
Rot. Bonds5

About 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole

2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole (PubChem CID 168554553) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
PubChem CID168554553
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
SMILESCCC(C)Oc1c(OC)cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N2O2/c1-4-12(2)22-17-13(8-7-11-16(17)21-3)18-19-14-9-5-6-10-15(14)20-18/h5-12H,4H2,1-3H3,(H,19,20)
InChIKeyURXFKBFJNAGETQ-UHFFFAOYSA-N
XLogP4.42
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 168553618
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1H-benzimidazole
CID 168554744
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-(2-ethoxy-3-methoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110538773
2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
CID 46997995
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
CID 168555811
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole (CID 168554553) is 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole is CCC(C)Oc1c(OC)cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole?
The InChIKey is URXFKBFJNAGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-12(2)22-17-13(8-7-11-16(17)21-3)18-19-14-9-5-6-10-15(14)20-18/h5-12H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole?
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).