2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide

C20H16N4 — CID 15435186

IUPAC2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4/c21-19(22)16-10-11-17-18(12-16)24-20(23-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)(H,23,24)
InChIKeyQLQYEKPTCMUJKK-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide

2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide (PubChem CID 15435186) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
PubChem CID15435186
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C20H16N4/c21-19(22)16-10-11-17-18(12-16)24-20(23-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)(H,23,24)
InChIKeyQLQYEKPTCMUJKK-UHFFFAOYSA-N
XLogP4.18
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.18
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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Related Compounds

2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
2-[4-[[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]methyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 10227902
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
2-[5-[5-(4-carbamimidoylphenyl)furan-2-yl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 11990527
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 146014497
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 11709967
2-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-3H-benzimidazole-5-carboximidamide
CID 11280567
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide;ethanol
CID 139912797
2-(5-carbamimidoylthiophen-2-yl)-3H-benzimidazole-5-carboximidamide
CID 137314301
2-(5-methylpyrazin-2-yl)-3H-benzimidazole-5-carboximidamide
CID 22125515
2-[2-[4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide;trihydrochloride
CID 42631062

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide (CID 15435186) is 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
The InChIKey is QLQYEKPTCMUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c21-19(22)16-10-11-17-18(12-16)24-20(23-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H3,21,22)(H,23,24).
What are the key properties of 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide?
2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide has a molecular weight of 312.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 15435186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).