N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide

C15H14N6 — CID 137229351

IUPACN'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
SMILESNN=C(Cc1ccccc1)/N=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N6/c16-19-14(10-11-6-2-1-3-7-11)20-21-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,17,18)/b19-14?,21-20+
InChIKeyWGUFLBGHAMUHHL-ORIYPQLFSA-N
MW278.32 g/mol
LogP3.16
Rot. Bonds3

About N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide

N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide (PubChem CID 137229351) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
PubChem CID137229351
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
SMILESNN=C(Cc1ccccc1)/N=N/c1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N6/c16-19-14(10-11-6-2-1-3-7-11)20-21-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,17,18)/b19-14?,21-20+
InChIKeyWGUFLBGHAMUHHL-ORIYPQLFSA-N
XLogP3.16
TPSA91.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 137249906
CID 175276367
CID 175276367
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
2-phenyl-1H-benzimidazole;zinc
CID 174639851
1H-benzimidazole-2-thiolate;ethane;zinc
CID 159834857
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide?
The IUPAC name of N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide (CID 137229351) is N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide.
What is the SMILES notation for N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide?
The canonical SMILES for N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide is NN=C(Cc1ccccc1)/N=N/c1nc2ccccc2[nH]1.
What is the InChIKey of N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide?
The InChIKey is WGUFLBGHAMUHHL-ORIYPQLFSA-N. The full InChI is InChI=1S/C15H14N6/c16-19-14(10-11-6-2-1-3-7-11)20-21-15-17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,17,18)/b19-14?,21-20+.
What are the key properties of N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide?
N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide has a molecular weight of 278.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide is sourced from PubChem (CID 137229351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).