2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol

C17H18F3N3O — CID 155001383

IUPAC2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol
SMILESCC(N)(O)CN1CNc2ccc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H18F3N3O/c1-16(21,24)9-23-10-22-14-6-5-12(8-15(14)23)11-3-2-4-13(7-11)17(18,19)20/h2-8,22,24H,9-10,21H2,1H3
InChIKeyGHCMHIULHRPBSM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol

2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol (PubChem CID 155001383) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol
PubChem CID155001383
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol
SMILESCC(N)(O)CN1CNc2ccc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H18F3N3O/c1-16(21,24)9-23-10-22-14-6-5-12(8-15(14)23)11-3-2-4-13(7-11)17(18,19)20/h2-8,22,24H,9-10,21H2,1H3
InChIKeyGHCMHIULHRPBSM-UHFFFAOYSA-N
XLogP3.23
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol?
The IUPAC name of 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol (CID 155001383) is 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol is CC(N)(O)CN1CNc2ccc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol?
The InChIKey is GHCMHIULHRPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-16(21,24)9-23-10-22-14-6-5-12(8-15(14)23)11-3-2-4-13(7-11)17(18,19)20/h2-8,22,24H,9-10,21H2,1H3.
What are the key properties of 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol?
2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol has a molecular weight of 337.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 155001383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).