(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine

C16H10F7N3 — CID 118661076

IUPAC(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine
SMILESN[C@@H](c1ccc(F)cc1)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H10F7N3/c17-9-3-1-7(2-4-9)12(24)14-25-11-6-8(15(18,19)20)5-10(13(11)26-14)16(21,22)23/h1-6,12H,24H2,(H,25,26)/t12-/m0/s1
InChIKeySHZNMCGCUCVMSX-LBPRGKRZSA-N
MW377.26 g/mol
LogP4.79
Rot. Bonds2

About (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine

(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine (PubChem CID 118661076) has the molecular formula C16H10F7N3 and a molecular weight of 377.26 g/mol. Its IUPAC name is (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine
PubChem CID118661076
Molecular FormulaC16H10F7N3
Molecular Weight377.26 g/mol
Exact Mass377.08
IUPAC Name(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine
SMILESN[C@@H](c1ccc(F)cc1)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H10F7N3/c17-9-3-1-7(2-4-9)12(24)14-25-11-6-8(15(18,19)20)5-10(13(11)26-14)16(21,22)23/h1-6,12H,24H2,(H,25,26)/t12-/m0/s1
InChIKeySHZNMCGCUCVMSX-LBPRGKRZSA-N
XLogP4.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine?
The IUPAC name of (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine (CID 118661076) is (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine.
What is the SMILES notation for (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine?
The canonical SMILES for (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine is N[C@@H](c1ccc(F)cc1)c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine?
The InChIKey is SHZNMCGCUCVMSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H10F7N3/c17-9-3-1-7(2-4-9)12(24)14-25-11-6-8(15(18,19)20)5-10(13(11)26-14)16(21,22)23/h1-6,12H,24H2,(H,25,26)/t12-/m0/s1.
What are the key properties of (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine?
(S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine has a molecular weight of 377.26 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4,6-bis(trifluoromethyl)-1H-benzimidazol-2-yl]-(4-fluorophenyl)methanamine is sourced from PubChem (CID 118661076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).