2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide

C18H14N4O — CID 135490854

IUPAC2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1
InChIInChI=1S/C18H14N4O/c19-17(20)11-6-8-14-15(9-11)22-18(21-14)13-7-5-10-3-1-2-4-12(10)16(13)23/h1-9,23H,(H3,19,20)(H,21,22)
InChIKeyJGJHMYSBPBDONZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.37
Rot. Bonds2

About 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide

2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide (PubChem CID 135490854) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
PubChem CID135490854
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1
InChIInChI=1S/C18H14N4O/c19-17(20)11-6-8-14-15(9-11)22-18(21-14)13-7-5-10-3-1-2-4-12(10)16(13)23/h1-9,23H,(H3,19,20)(H,21,22)
InChIKeyJGJHMYSBPBDONZ-UHFFFAOYSA-N
XLogP3.37
TPSA98.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide (CID 135490854) is 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc4ccccc4c3O)[nH]c2c1.
What is the InChIKey of 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is JGJHMYSBPBDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-17(20)11-6-8-14-15(9-11)22-18(21-14)13-7-5-10-3-1-2-4-12(10)16(13)23/h1-9,23H,(H3,19,20)(H,21,22).
What are the key properties of 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide?
2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 302.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxynaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 135490854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).