1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine

C19H17F3N4O2 — CID 165083672

IUPAC1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine
SMILESCOCCn1c(Nc2cc3ccc(OC(F)(F)F)cc3[nH]2)nc2ccccc21
InChIInChI=1S/C19H17F3N4O2/c1-27-9-8-26-16-5-3-2-4-14(16)24-18(26)25-17-10-12-6-7-13(11-15(12)23-17)28-19(20,21)22/h2-7,10-11,23H,8-9H2,1H3,(H,24,25)
InChIKeyDSHROPLWLXRMDL-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.81
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine

1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine (PubChem CID 165083672) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine
PubChem CID165083672
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine
SMILESCOCCn1c(Nc2cc3ccc(OC(F)(F)F)cc3[nH]2)nc2ccccc21
InChIInChI=1S/C19H17F3N4O2/c1-27-9-8-26-16-5-3-2-4-14(16)24-18(26)25-17-10-12-6-7-13(11-15(12)23-17)28-19(20,21)22/h2-7,10-11,23H,8-9H2,1H3,(H,24,25)
InChIKeyDSHROPLWLXRMDL-UHFFFAOYSA-N
XLogP4.81
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-3-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide
CID 134459830
N-(1-methylbenzimidazol-2-yl)-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 130297051
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
CID 70326426
CID 70326426
N-[1-(2-methoxyethyl)benzimidazol-2-yl]-1H-indazole-5-carboxamide
CID 154795635
(E)-N-hydroxy-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
CID 122514311
(E)-3-[2-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]phenyl]prop-2-enamide
CID 139368286
N-butyl-1-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-amine
CID 137474559
1-hexyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 134083950
2-(2,6-difluoroanilino)-1-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 67229775
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine (CID 165083672) is 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine is COCCn1c(Nc2cc3ccc(OC(F)(F)F)cc3[nH]2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine?
The InChIKey is DSHROPLWLXRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-27-9-8-26-16-5-3-2-4-14(16)24-18(26)25-17-10-12-6-7-13(11-15(12)23-17)28-19(20,21)22/h2-7,10-11,23H,8-9H2,1H3,(H,24,25).
What are the key properties of 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine?
1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine has a molecular weight of 390.37 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[6-(trifluoromethoxy)-1H-indol-2-yl]benzimidazol-2-amine is sourced from PubChem (CID 165083672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).