2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole

C20H22N2O2 — CID 154946893

IUPAC2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole
SMILESCn1c(OCC2CCC2)nc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H22N2O2/c1-22-19-12-17(23-13-15-6-3-2-4-7-15)10-11-18(19)21-20(22)24-14-16-8-5-9-16/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3
InChIKeyAMRXZSXKZAFDPQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.33
Rot. Bonds6

About 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole

2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole (PubChem CID 154946893) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole
PubChem CID154946893
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole
SMILESCn1c(OCC2CCC2)nc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H22N2O2/c1-22-19-12-17(23-13-15-6-3-2-4-7-15)10-11-18(19)21-20(22)24-14-16-8-5-9-16/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3
InChIKeyAMRXZSXKZAFDPQ-UHFFFAOYSA-N
XLogP4.33
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole?
The IUPAC name of 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole (CID 154946893) is 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole.
What is the SMILES notation for 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole?
The canonical SMILES for 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole is Cn1c(OCC2CCC2)nc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole?
The InChIKey is AMRXZSXKZAFDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22-19-12-17(23-13-15-6-3-2-4-7-15)10-11-18(19)21-20(22)24-14-16-8-5-9-16/h2-4,6-7,10-12,16H,5,8-9,13-14H2,1H3.
What are the key properties of 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole?
2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole has a molecular weight of 322.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-1-methyl-6-phenylmethoxybenzimidazole is sourced from PubChem (CID 154946893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).