N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride

C25H27Cl2F2N5O — CID 135324525

IUPACN-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C25H25F2N5O.2ClH/c26-17-7-3-15(4-8-17)20-12-22-23(13-21(20)16-5-9-18(27)10-6-16)32-24(31-22)25(33)30-14-19(29)2-1-11-28;;/h3-10,12-13,19H,1-2,11,14,28-29H2,(H,30,33)(H,31,32);2*1H
InChIKeyZYKRIQCGYINHCN-UHFFFAOYSA-N
MW522.43 g/mol
LogP4.81
Rot. Bonds8

About N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride

N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride (PubChem CID 135324525) has the molecular formula C25H27Cl2F2N5O and a molecular weight of 522.43 g/mol. Its IUPAC name is N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
PubChem CID135324525
Molecular FormulaC25H27Cl2F2N5O
Molecular Weight522.43 g/mol
Exact Mass521.16
IUPAC NameN-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C25H25F2N5O.2ClH/c26-17-7-3-15(4-8-17)20-12-22-23(13-21(20)16-5-9-18(27)10-6-16)32-24(31-22)25(33)30-14-19(29)2-1-11-28;;/h3-10,12-13,19H,1-2,11,14,28-29H2,(H,30,33)(H,31,32);2*1H
InChIKeyZYKRIQCGYINHCN-UHFFFAOYSA-N
XLogP4.81
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.43
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563
N-[(2S)-2-amino-5-(diaminomethylideneamino)pentyl]-6-(4-fluorophenyl)-1H-benzimidazole-2-carboxamide
CID 142426079
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-1H-benzimidazol-3-ium-2-carboxamide
CID 153489434
N-[(2S)-2,5-diaminopentyl]-3-(4-fluorophenyl)-7-hydroxy-1H-indole-2-carboxamide
CID 137385816
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride (CID 135324525) is N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride is Cl.Cl.NCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
The InChIKey is ZYKRIQCGYINHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.2ClH/c26-17-7-3-15(4-8-17)20-12-22-23(13-21(20)16-5-9-18(27)10-6-16)32-24(31-22)25(33)30-14-19(29)2-1-11-28;;/h3-10,12-13,19H,1-2,11,14,28-29H2,(H,30,33)(H,31,32);2*1H.
What are the key properties of N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride?
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride has a molecular weight of 522.43 g/mol, XLogP of 4.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 135324525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).