2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole

C19H20N2O — CID 134102980

IUPAC2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole
SMILESCC(C)=CCOc1ccc(-n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O/c1-14(2)12-13-22-17-10-8-16(9-11-17)21-15(3)20-18-6-4-5-7-19(18)21/h4-12H,13H2,1-3H3
InChIKeyBJTDDHRXTZNTCC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.68
Rot. Bonds4

About 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole

2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole (PubChem CID 134102980) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole
PubChem CID134102980
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole
SMILESCC(C)=CCOc1ccc(-n2c(C)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O/c1-14(2)12-13-22-17-10-8-16(9-11-17)21-15(3)20-18-6-4-5-7-19(18)21/h4-12H,13H2,1-3H3
InChIKeyBJTDDHRXTZNTCC-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 82513889
1-(4-ethoxyphenyl)benzimidazol-2-amine
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CID 107388245
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 81276129
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347
2-methyl-1-(4-propoxyphenyl)benzimidazol-5-amine
CID 62506071
2-[2-[4-(3-methylbut-2-enoxy)phenoxy]ethoxy]pyrimidine
CID 15239108
2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
CID 143742531
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole (CID 134102980) is 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole is CC(C)=CCOc1ccc(-n2c(C)nc3ccccc32)cc1.
What is the InChIKey of 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole?
The InChIKey is BJTDDHRXTZNTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14(2)12-13-22-17-10-8-16(9-11-17)21-15(3)20-18-6-4-5-7-19(18)21/h4-12H,13H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole?
2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole is sourced from PubChem (CID 134102980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).