[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol

C15H15FN4O — CID 123892748

IUPAC[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol
SMILESOC(NCF)Nc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H15FN4O/c16-9-17-15(21)19-11-4-3-5-12(8-11)20-10-18-13-6-1-2-7-14(13)20/h1-8,10,15,17,19,21H,9H2
InChIKeySZCTZJASORIACW-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.23
Rot. Bonds5

About [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol

[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol (PubChem CID 123892748) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol.

Molecular Properties

Compound Name[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol
PubChem CID123892748
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol
SMILESOC(NCF)Nc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C15H15FN4O/c16-9-17-15(21)19-11-4-3-5-12(8-11)20-10-18-13-6-1-2-7-14(13)20/h1-8,10,15,17,19,21H,9H2
InChIKeySZCTZJASORIACW-UHFFFAOYSA-N
XLogP2.23
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 149192166
CID 149192166
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
CID 130437987
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
CID 95147655
3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
CID 141095825
methyl N-[3-[[4-(benzimidazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 87037290
N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide
CID 118867908

Frequently Asked Questions

What is the IUPAC name of [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol?
The IUPAC name of [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol (CID 123892748) is [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol.
What is the SMILES notation for [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol?
The canonical SMILES for [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol is OC(NCF)Nc1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol?
The InChIKey is SZCTZJASORIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-9-17-15(21)19-11-4-3-5-12(8-11)20-10-18-13-6-1-2-7-14(13)20/h1-8,10,15,17,19,21H,9H2.
What are the key properties of [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol?
[3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol has a molecular weight of 286.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzimidazol-1-yl)anilino]-(fluoromethylamino)methanol is sourced from PubChem (CID 123892748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).