4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide

C26H26N4O2 — CID 58408621

IUPAC4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
SMILESCn1c(-c2ccc(NC(=O)c3ccc(N)cc3)cc2)nc2cc(C(=O)C(C)(C)C)ccc21
InChIInChI=1S/C26H26N4O2/c1-26(2,3)23(31)18-9-14-22-21(15-18)29-24(30(22)4)16-7-12-20(13-8-16)28-25(32)17-5-10-19(27)11-6-17/h5-15H,27H2,1-4H3,(H,28,32)
InChIKeyLGLSAKSTVICQII-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.30
Rot. Bonds4

About 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide

4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide (PubChem CID 58408621) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
PubChem CID58408621
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide
SMILESCn1c(-c2ccc(NC(=O)c3ccc(N)cc3)cc2)nc2cc(C(=O)C(C)(C)C)ccc21
InChIInChI=1S/C26H26N4O2/c1-26(2,3)23(31)18-9-14-22-21(15-18)29-24(30(22)4)16-7-12-20(13-8-16)28-25(32)17-5-10-19(27)11-6-17/h5-15H,27H2,1-4H3,(H,28,32)
InChIKeyLGLSAKSTVICQII-UHFFFAOYSA-N
XLogP5.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-benzamido-1-methylbenzimidazol-2-yl)phenyl]benzamide;2-fluoroprop-1-ene;2-methylbut-2-ene
CID 142812885
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
1-cyclopentyl-2-[4-[(4-methylphenyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515819
4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide
CID 134285569
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-[5-[(2-chlorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825236
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
N-hydroxy-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole-5-carboxamide
CID 122690142
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide (CID 58408621) is 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide is Cn1c(-c2ccc(NC(=O)c3ccc(N)cc3)cc2)nc2cc(C(=O)C(C)(C)C)ccc21.
What is the InChIKey of 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide?
The InChIKey is LGLSAKSTVICQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-26(2,3)23(31)18-9-14-22-21(15-18)29-24(30(22)4)16-7-12-20(13-8-16)28-25(32)17-5-10-19(27)11-6-17/h5-15H,27H2,1-4H3,(H,28,32).
What are the key properties of 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide?
4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 58408621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).