1H-benzimidazole;2-phenylbenzenecarboximidamide

C20H18N4 — CID 158117325

IUPAC1H-benzimidazole;2-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccccc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C13H12N2.C7H6N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H3,14,15);1-5H,(H,8,9)
InChIKeyFRECIVQPCHCFEP-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.20
Rot. Bonds2

About 1H-benzimidazole;2-phenylbenzenecarboximidamide

1H-benzimidazole;2-phenylbenzenecarboximidamide (PubChem CID 158117325) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1H-benzimidazole;2-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name1H-benzimidazole;2-phenylbenzenecarboximidamide
PubChem CID158117325
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1H-benzimidazole;2-phenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccccc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C13H12N2.C7H6N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H3,14,15);1-5H,(H,8,9)
InChIKeyFRECIVQPCHCFEP-UHFFFAOYSA-N
XLogP4.20
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.20
H-Bond Donors ≤ 53
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 1H-benzimidazole;2-phenylbenzenecarboximidamide?
The IUPAC name of 1H-benzimidazole;2-phenylbenzenecarboximidamide (CID 158117325) is 1H-benzimidazole;2-phenylbenzenecarboximidamide.
What is the SMILES notation for 1H-benzimidazole;2-phenylbenzenecarboximidamide?
The canonical SMILES for 1H-benzimidazole;2-phenylbenzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccccc1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;2-phenylbenzenecarboximidamide?
The InChIKey is FRECIVQPCHCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.C7H6N2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-2-4-7-6(3-1)8-5-9-7/h1-9H,(H3,14,15);1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole;2-phenylbenzenecarboximidamide?
1H-benzimidazole;2-phenylbenzenecarboximidamide has a molecular weight of 314.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;2-phenylbenzenecarboximidamide is sourced from PubChem (CID 158117325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).