N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

C25H15N7O — CID 168608096

IUPACN-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H15N7O/c26-13-18(14-27)23(15-28)29-20-10-11-21-22(12-20)32-24(31-21)16-6-8-19(9-7-16)30-25(33)17-4-2-1-3-5-17/h1-12,29H,(H,30,33)(H,31,32)
InChIKeyHHFJXUQOITYVKI-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide

N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 168608096) has the molecular formula C25H15N7O and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID168608096
Molecular FormulaC25H15N7O
Molecular Weight429.44 g/mol
Exact Mass429.13
IUPAC NameN-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESN#CC(C#N)=C(C#N)Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C25H15N7O/c26-13-18(14-27)23(15-28)29-20-10-11-21-22(12-20)32-24(31-21)16-6-8-19(9-7-16)30-25(33)17-4-2-1-3-5-17/h1-12,29H,(H,30,33)(H,31,32)
InChIKeyHHFJXUQOITYVKI-UHFFFAOYSA-N
XLogP4.72
TPSA141.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
CID 17372812
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 168608096) is N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is N#CC(C#N)=C(C#N)Nc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is HHFJXUQOITYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N7O/c26-13-18(14-27)23(15-28)29-20-10-11-21-22(12-20)32-24(31-21)16-6-8-19(9-7-16)30-25(33)17-4-2-1-3-5-17/h1-12,29H,(H,30,33)(H,31,32).
What are the key properties of N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide?
N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 429.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 168608096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).