N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide

C17H13N5O — CID 57066287

IUPACN-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
SMILESO=C(Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5O/c23-17(20-22-12-19-15-6-1-2-7-16(15)22)13-4-3-5-14(10-13)21-9-8-18-11-21/h1-12H,(H,20,23)
InChIKeyMULARWOZJPRAFO-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.61
Rot. Bonds3

About N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide

N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide (PubChem CID 57066287) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
PubChem CID57066287
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
SMILESO=C(Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H13N5O/c23-17(20-22-12-19-15-6-1-2-7-16(15)22)13-4-3-5-14(10-13)21-9-8-18-11-21/h1-12H,(H,20,23)
InChIKeyMULARWOZJPRAFO-UHFFFAOYSA-N
XLogP2.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide (CID 57066287) is N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide is O=C(Nn1cnc2ccccc21)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide?
The InChIKey is MULARWOZJPRAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17(20-22-12-19-15-6-1-2-7-16(15)22)13-4-3-5-14(10-13)21-9-8-18-11-21/h1-12H,(H,20,23).
What are the key properties of N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide?
N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide has a molecular weight of 303.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 57066287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).