1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine

C14H19F3N4 — CID 62640262

IUPAC1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCC(C)N(C)CCn1c(C(F)(F)F)nc2cc(N)ccc21
InChIInChI=1S/C14H19F3N4/c1-9(2)20(3)6-7-21-12-5-4-10(18)8-11(12)19-13(21)14(15,16)17/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyBCIREKNOYFNWOU-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine

1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 62640262) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID62640262
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCC(C)N(C)CCn1c(C(F)(F)F)nc2cc(N)ccc21
InChIInChI=1S/C14H19F3N4/c1-9(2)20(3)6-7-21-12-5-4-10(18)8-11(12)19-13(21)14(15,16)17/h4-5,8-9H,6-7,18H2,1-3H3
InChIKeyBCIREKNOYFNWOU-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
1-(3-fluoropropyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114267054
2-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 106432377
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
1-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 63239906
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine (CID 62640262) is 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine is CC(C)N(C)CCn1c(C(F)(F)F)nc2cc(N)ccc21.
What is the InChIKey of 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is BCIREKNOYFNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-9(2)20(3)6-7-21-12-5-4-10(18)8-11(12)19-13(21)14(15,16)17/h4-5,8-9H,6-7,18H2,1-3H3.
What are the key properties of 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine?
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 300.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 62640262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).