[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium

C20H16FN4O+ — CID 135559081

IUPAC[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)/p+1
InChIKeyQXRGLPOCPFPVHS-UHFFFAOYSA-O
MW347.37 g/mol
LogP2.21
Rot. Bonds3

About [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium

[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium (PubChem CID 135559081) has the molecular formula C20H16FN4O+ and a molecular weight of 347.37 g/mol. Its IUPAC name is [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium
PubChem CID135559081
Molecular FormulaC20H16FN4O+
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F
InChIInChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)/p+1
InChIKeyQXRGLPOCPFPVHS-UHFFFAOYSA-O
XLogP2.21
TPSA100.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium?
The IUPAC name of [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium (CID 135559081) is [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium.
What is the SMILES notation for [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium?
The canonical SMILES for [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium is NC(=[NH2+])c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1F.
What is the InChIKey of [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium?
The InChIKey is QXRGLPOCPFPVHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15FN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25)/p+1.
What are the key properties of [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium?
[amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium has a molecular weight of 347.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-benzimidazol-5-yl]methylidene]azanium is sourced from PubChem (CID 135559081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).