4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine

C16H14F3N3O2 — CID 70271805

IUPAC4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(OC)c(-c2c(C(F)(F)F)ccc3[nH]c(N)nc23)c1
InChIInChI=1S/C16H14F3N3O2/c1-23-8-3-6-12(24-2)9(7-8)13-10(16(17,18)19)4-5-11-14(13)22-15(20)21-11/h3-7H,1-2H3,(H3,20,21,22)
InChIKeyALBFUACSGSPXAG-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.85
Rot. Bonds3

About 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine

4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 70271805) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID70271805
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(OC)c(-c2c(C(F)(F)F)ccc3[nH]c(N)nc23)c1
InChIInChI=1S/C16H14F3N3O2/c1-23-8-3-6-12(24-2)9(7-8)13-10(16(17,18)19)4-5-11-14(13)22-15(20)21-11/h3-7H,1-2H3,(H3,20,21,22)
InChIKeyALBFUACSGSPXAG-UHFFFAOYSA-N
XLogP3.85
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 70271805) is 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine is COc1ccc(OC)c(-c2c(C(F)(F)F)ccc3[nH]c(N)nc23)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is ALBFUACSGSPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-23-8-3-6-12(24-2)9(7-8)13-10(16(17,18)19)4-5-11-14(13)22-15(20)21-11/h3-7H,1-2H3,(H3,20,21,22).
What are the key properties of 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 337.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 70271805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).