4-(benzimidazol-1-ylmethyl)benzenecarboximidamide

C15H14N4 — CID 24694539

IUPAC4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N4/c16-15(17)12-7-5-11(6-8-12)9-19-10-18-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H3,16,17)
InChIKeyOEXWIKGFJXSSRU-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.37
Rot. Bonds3

About 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide

4-(benzimidazol-1-ylmethyl)benzenecarboximidamide (PubChem CID 24694539) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
PubChem CID24694539
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C15H14N4/c16-15(17)12-7-5-11(6-8-12)9-19-10-18-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H3,16,17)
InChIKeyOEXWIKGFJXSSRU-UHFFFAOYSA-N
XLogP2.37
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
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 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide (CID 24694539) is 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide?
The InChIKey is OEXWIKGFJXSSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15(17)12-7-5-11(6-8-12)9-19-10-18-13-3-1-2-4-14(13)19/h1-8,10H,9H2,(H3,16,17).
What are the key properties of 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide?
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide has a molecular weight of 250.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 24694539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).