(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine

C19H19ClF3N3 — CID 67099430

IUPAC(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine
SMILESCCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C19H19ClF3N3/c1-3-18-25-16-9-14(19(21,22)23)15(20)10-17(16)26(18)13-6-4-12(5-7-13)8-11(2)24/h4-7,9-11H,3,8,24H2,1-2H3/t11-/m1/s1
InChIKeyNPGZGLQYZADLIA-LLVKDONJSA-N
MW381.83 g/mol
LogP5.15
Rot. Bonds4

About (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine

(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine (PubChem CID 67099430) has the molecular formula C19H19ClF3N3 and a molecular weight of 381.83 g/mol. Its IUPAC name is (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine
PubChem CID67099430
Molecular FormulaC19H19ClF3N3
Molecular Weight381.83 g/mol
Exact Mass381.12
IUPAC Name(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine
SMILESCCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C19H19ClF3N3/c1-3-18-25-16-9-14(19(21,22)23)15(20)10-17(16)26(18)13-6-4-12(5-7-13)8-11(2)24/h4-7,9-11H,3,8,24H2,1-2H3/t11-/m1/s1
InChIKeyNPGZGLQYZADLIA-LLVKDONJSA-N
XLogP5.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine (CID 67099430) is (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine is CCc1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(C[C@@H](C)N)cc1.
What is the InChIKey of (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine?
The InChIKey is NPGZGLQYZADLIA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19ClF3N3/c1-3-18-25-16-9-14(19(21,22)23)15(20)10-17(16)26(18)13-6-4-12(5-7-13)8-11(2)24/h4-7,9-11H,3,8,24H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine?
(2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine has a molecular weight of 381.83 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[6-chloro-2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]phenyl]propan-2-amine is sourced from PubChem (CID 67099430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).