(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine

C8H8F3N3 — CID 162600558

IUPAC(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine
SMILESNc1ccc2c(c1)N[C@H](C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3,7,13-14H,12H2/t7-/m1/s1
InChIKeyLKOVPCZSBVNDLV-SSDOTTSWSA-N
MW203.17 g/mol
LogP1.99
Rot. Bonds

About (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine

(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine (PubChem CID 162600558) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine
PubChem CID162600558
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine
SMILESNc1ccc2c(c1)N[C@H](C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3,7,13-14H,12H2/t7-/m1/s1
InChIKeyLKOVPCZSBVNDLV-SSDOTTSWSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine?
The IUPAC name of (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine (CID 162600558) is (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine.
What is the SMILES notation for (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine?
The canonical SMILES for (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine is Nc1ccc2c(c1)N[C@H](C(F)(F)F)N2.
What is the InChIKey of (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine?
The InChIKey is LKOVPCZSBVNDLV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3,7,13-14H,12H2/t7-/m1/s1.
What are the key properties of (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine?
(2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine has a molecular weight of 203.17 g/mol, XLogP of 1.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(trifluoromethyl)-2,3-dihydro-1H-benzimidazol-5-amine is sourced from PubChem (CID 162600558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).