N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide

C20H17N4O2+ — CID 23646784

IUPACN-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide
SMILESNc1[nH]c2cc(NC(=O)c3cccc(-c4ccccc4)c3O)ccc2[nH+]1
InChIInChI=1S/C20H16N4O2/c21-20-23-16-10-9-13(11-17(16)24-20)22-19(26)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H,22,26)(H3,21,23,24)/p+1
InChIKeyUSQJNQXMUDZZON-UHFFFAOYSA-O
MW345.38 g/mol
LogP3.19
Rot. Bonds3

About N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide

N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide (PubChem CID 23646784) has the molecular formula C20H17N4O2+ and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide
PubChem CID23646784
Molecular FormulaC20H17N4O2+
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide
SMILESNc1[nH]c2cc(NC(=O)c3cccc(-c4ccccc4)c3O)ccc2[nH+]1
InChIInChI=1S/C20H16N4O2/c21-20-23-16-10-9-13(11-17(16)24-20)22-19(26)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H,22,26)(H3,21,23,24)/p+1
InChIKeyUSQJNQXMUDZZON-UHFFFAOYSA-O
XLogP3.19
TPSA105.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide?
The IUPAC name of N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide (CID 23646784) is N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide.
What is the SMILES notation for N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide?
The canonical SMILES for N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide is Nc1[nH]c2cc(NC(=O)c3cccc(-c4ccccc4)c3O)ccc2[nH+]1.
What is the InChIKey of N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide?
The InChIKey is USQJNQXMUDZZON-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16N4O2/c21-20-23-16-10-9-13(11-17(16)24-20)22-19(26)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H,22,26)(H3,21,23,24)/p+1.
What are the key properties of N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide?
N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide has a molecular weight of 345.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3H-benzimidazol-1-ium-5-yl)-2-hydroxy-3-phenylbenzamide is sourced from PubChem (CID 23646784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).