1-butoxy-4-methyl-2-phenylbenzimidazole

C18H20N2O — CID 15514770

IUPAC1-butoxy-4-methyl-2-phenylbenzimidazole
SMILESCCCCOn1c(-c2ccccc2)nc2c(C)cccc21
InChIInChI=1S/C18H20N2O/c1-3-4-13-21-20-16-12-8-9-14(2)17(16)19-18(20)15-10-6-5-7-11-15/h5-12H,3-4,13H2,1-2H3
InChIKeyWNGBRQUGBFNYHX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.24
Rot. Bonds5

About 1-butoxy-4-methyl-2-phenylbenzimidazole

1-butoxy-4-methyl-2-phenylbenzimidazole (PubChem CID 15514770) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-butoxy-4-methyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-butoxy-4-methyl-2-phenylbenzimidazole
PubChem CID15514770
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-butoxy-4-methyl-2-phenylbenzimidazole
SMILESCCCCOn1c(-c2ccccc2)nc2c(C)cccc21
InChIInChI=1S/C18H20N2O/c1-3-4-13-21-20-16-12-8-9-14(2)17(16)19-18(20)15-10-6-5-7-11-15/h5-12H,3-4,13H2,1-2H3
InChIKeyWNGBRQUGBFNYHX-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
2-heptan-3-yl-1,4-dimethylbenzimidazole
CID 22734816
4-methyl-2-phenyl-1-pyridin-2-ylbenzimidazole
CID 58121833
2,4-dimethyl-1-[2-[4-[4-(trifluoromethoxy)phenyl]phenyl]ethoxy]benzimidazole
CID 134123960
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
CID 175774431
1-hydroxy-2-(4-methoxyphenyl)-4-methylbenzimidazole
CID 15514766
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
3-butoxy-2-chloroquinazolin-4-one
CID 70145328
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methyl-2-phenylbenzimidazole?
The IUPAC name of 1-butoxy-4-methyl-2-phenylbenzimidazole (CID 15514770) is 1-butoxy-4-methyl-2-phenylbenzimidazole.
What is the SMILES notation for 1-butoxy-4-methyl-2-phenylbenzimidazole?
The canonical SMILES for 1-butoxy-4-methyl-2-phenylbenzimidazole is CCCCOn1c(-c2ccccc2)nc2c(C)cccc21.
What is the InChIKey of 1-butoxy-4-methyl-2-phenylbenzimidazole?
The InChIKey is WNGBRQUGBFNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-4-13-21-20-16-12-8-9-14(2)17(16)19-18(20)15-10-6-5-7-11-15/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-butoxy-4-methyl-2-phenylbenzimidazole?
1-butoxy-4-methyl-2-phenylbenzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methyl-2-phenylbenzimidazole is sourced from PubChem (CID 15514770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).