4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide

C23H20N8O2 — CID 174690572

IUPAC4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide
SMILESCN(C)c1ccc(-c2nc3ccc(N(N)C(=O)c4ccc(C(=O)N=[N+]=[N-])cc4)cc3[nH]2)cc1
InChIInChI=1S/C23H20N8O2/c1-30(2)17-9-7-14(8-10-17)21-26-19-12-11-18(13-20(19)27-21)31(25)23(33)16-5-3-15(4-6-16)22(32)28-29-24/h3-13H,25H2,1-2H3,(H,26,27)
InChIKeyOBYGUEKRYGHJNH-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.27
Rot. Bonds5

About 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide

4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide (PubChem CID 174690572) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide.

Molecular Properties

Compound Name4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide
PubChem CID174690572
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide
SMILESCN(C)c1ccc(-c2nc3ccc(N(N)C(=O)c4ccc(C(=O)N=[N+]=[N-])cc4)cc3[nH]2)cc1
InChIInChI=1S/C23H20N8O2/c1-30(2)17-9-7-14(8-10-17)21-26-19-12-11-18(13-20(19)27-21)31(25)23(33)16-5-3-15(4-6-16)22(32)28-29-24/h3-13H,25H2,1-2H3,(H,26,27)
InChIKeyOBYGUEKRYGHJNH-UHFFFAOYSA-N
XLogP4.27
TPSA144.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide 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

4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
CID 141334498
4-[[2-(4-methylphenyl)-3H-benzimidazole-5-carbonyl]amino]benzoyl azide
CID 142169440
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
methyl 4-[[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 3568302
2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-1-pyridin-4-ylethanone
CID 157283979
2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxylic acid;6-propan-2-ylpyridin-3-amine
CID 175415381
N-[2-(4-benzylphenyl)-3H-benzimidazol-5-yl]-4-(dimethylamino)benzamide
CID 67686397
1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 153248478
2-[4-(dimethylamino)phenyl]-N-(6-methoxy-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 134373088
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide?
The IUPAC name of 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide (CID 174690572) is 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide.
What is the SMILES notation for 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide?
The canonical SMILES for 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide is CN(C)c1ccc(-c2nc3ccc(N(N)C(=O)c4ccc(C(=O)N=[N+]=[N-])cc4)cc3[nH]2)cc1.
What is the InChIKey of 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide?
The InChIKey is OBYGUEKRYGHJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-30(2)17-9-7-14(8-10-17)21-26-19-12-11-18(13-20(19)27-21)31(25)23(33)16-5-3-15(4-6-16)22(32)28-29-24/h3-13H,25H2,1-2H3,(H,26,27).
What are the key properties of 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide?
4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide has a molecular weight of 440.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]benzoyl azide is sourced from PubChem (CID 174690572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).