[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium

C14H13N4O+ — CID 1505

IUPAC[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
InChIKeyURJKRCBBKTXOHS-UHFFFAOYSA-O
MW253.28 g/mol
LogP0.40
Rot. Bonds2

About [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium

[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium (PubChem CID 1505) has the molecular formula C14H13N4O+ and a molecular weight of 253.28 g/mol. Its IUPAC name is [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium
PubChem CID1505
Molecular FormulaC14H13N4O+
Molecular Weight253.28 g/mol
Exact Mass253.11
IUPAC Name[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1
InChIInChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
InChIKeyURJKRCBBKTXOHS-UHFFFAOYSA-O
XLogP0.40
TPSA100.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.40
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-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium?
The IUPAC name of [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium (CID 1505) is [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium.
What is the SMILES notation for [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium?
The canonical SMILES for [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium is NC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1.
What is the InChIKey of [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium?
The InChIKey is URJKRCBBKTXOHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1.
What are the key properties of [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium?
[amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium has a molecular weight of 253.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]methylidene]azanium is sourced from PubChem (CID 1505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).