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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Related Compounds

1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
3-[3-(cyclopentylmethyl)-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylaniline
CID 68683760
2-cyclohexyloxy-6-(4-fluorophenoxy)-1-methylbenzimidazole
CID 154946896
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
1-(cyclopropylmethoxy)-2-ethynyl-4-phenylmethoxybenzene
CID 168720072
8-(cyclopropylmethoxy)-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-amine
CID 66863134
1-phenyl-6-phenylmethoxyindole
CID 22049132
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
1-phenyl-7-phenylmethoxy-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraene
CID 13162246

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).