1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole

C19H19F3N2O — CID 134083798

IUPAC1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESCCCCn1c(-c2cccc(C(F)(F)F)c2)nc2cc(OC)ccc21
InChIInChI=1S/C19H19F3N2O/c1-3-4-10-24-17-9-8-15(25-2)12-16(17)23-18(24)13-6-5-7-14(11-13)19(20,21)22/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyFZRBINQDPNDBSY-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.53
Rot. Bonds5

About 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole

1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 134083798) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
PubChem CID134083798
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESCCCCn1c(-c2cccc(C(F)(F)F)c2)nc2cc(OC)ccc21
InChIInChI=1S/C19H19F3N2O/c1-3-4-10-24-17-9-8-15(25-2)12-16(17)23-18(24)13-6-5-7-14(11-13)19(20,21)22/h5-9,11-12H,3-4,10H2,1-2H3
InChIKeyFZRBINQDPNDBSY-UHFFFAOYSA-N
XLogP5.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-butyl-5-methoxybenzimidazol-2-yl)aniline
CID 82334366
1-butyl-2-[3-(trifluoromethyl)phenyl]benzimidazole
CID 134082335
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
CID 134083831
3-(1-butyl-5-methylbenzimidazol-2-yl)aniline
CID 82333006
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
2-(1-butylbenzimidazol-2-yl)-5-methoxyphenol
CID 136726170
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole (CID 134083798) is 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole is CCCCn1c(-c2cccc(C(F)(F)F)c2)nc2cc(OC)ccc21.
What is the InChIKey of 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is FZRBINQDPNDBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-3-4-10-24-17-9-8-15(25-2)12-16(17)23-18(24)13-6-5-7-14(11-13)19(20,21)22/h5-9,11-12H,3-4,10H2,1-2H3.
What are the key properties of 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole?
1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 348.37 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 134083798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).