N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide

C26H26N6O — CID 14903288

IUPACN-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C26H26N6O/c1-32(2)14-6-13-27-26(33)19-10-12-21-23(16-19)31-25(29-21)18-9-11-20-22(15-18)30-24(28-20)17-7-4-3-5-8-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,27,33)(H,28,30)(H,29,31)
InChIKeyBTZHPSBDHORDOX-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.45
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide

N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 14903288) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
PubChem CID14903288
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)[nH]c2c1
InChIInChI=1S/C26H26N6O/c1-32(2)14-6-13-27-26(33)19-10-12-21-23(16-19)31-25(29-21)18-9-11-20-22(15-18)30-24(28-20)17-7-4-3-5-8-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,27,33)(H,28,30)(H,29,31)
InChIKeyBTZHPSBDHORDOX-UHFFFAOYSA-N
XLogP4.45
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-(3-aminopropyl)-2-[4-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 156663986
4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[3-[2-[2-[3-[[4-[6-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]propoxy]ethoxy]ethoxy]propyl]benzamide
CID 138649300
2-[2-(7-chloro-4-hydroxy-2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazol-5-yl]-N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-carboxamide
CID 136834125
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[6-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]hexyl]benzamide
CID 138650082
methyl 4-[2-[2-[[2-[4-[6-[2-(dimethylamino)ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carbonyl]amino]ethyl-methylamino]ethylamino]-4-oxobutanoate
CID 138649532
N-[2-(dimethylamino)ethyl]-4-[6-[2-(4-pentoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzamide
CID 138649511
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
N-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-2-[4-[6-[2-[methyl-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]ethylcarbamoyl]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 138649257

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide (CID 14903288) is N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide is CN(C)CCCNC(=O)c1ccc2nc(-c3ccc4nc(-c5ccccc5)[nH]c4c3)[nH]c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BTZHPSBDHORDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-32(2)14-6-13-27-26(33)19-10-12-21-23(16-19)31-25(29-21)18-9-11-20-22(15-18)30-24(28-20)17-7-4-3-5-8-17/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,27,33)(H,28,30)(H,29,31).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 14903288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).