4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine

C26H24ClN7 — CID 155113001

IUPAC4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc([C@H](Cc2nc3ccc(-c4ccc(Cl)cc4)cc3[nH]2)c2ccccc2)c1N
InChIInChI=1S/C26H24ClN7/c27-18-9-6-15(7-10-18)17-8-11-21-22(12-17)32-24(31-21)14-19(16-4-2-1-3-5-16)20-13-23(28)33-26(34-30)25(20)29/h1-13,19H,14,29-30H2,(H,31,32)(H3,28,33,34)/t19-/m1/s1
InChIKeyMSKUSTBWIDERPU-LJQANCHMSA-N
MW469.98 g/mol
LogP5.10
Rot. Bonds6

About 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine

4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 155113001) has the molecular formula C26H24ClN7 and a molecular weight of 469.98 g/mol. Its IUPAC name is 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
PubChem CID155113001
Molecular FormulaC26H24ClN7
Molecular Weight469.98 g/mol
Exact Mass469.18
IUPAC Name4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc([C@H](Cc2nc3ccc(-c4ccc(Cl)cc4)cc3[nH]2)c2ccccc2)c1N
InChIInChI=1S/C26H24ClN7/c27-18-9-6-15(7-10-18)17-8-11-21-22(12-17)32-24(31-21)14-19(16-4-2-1-3-5-16)20-13-23(28)33-26(34-30)25(20)29/h1-13,19H,14,29-30H2,(H,31,32)(H3,28,33,34)/t19-/m1/s1
InChIKeyMSKUSTBWIDERPU-LJQANCHMSA-N
XLogP5.10
TPSA131.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine (CID 155113001) is 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc([C@H](Cc2nc3ccc(-c4ccc(Cl)cc4)cc3[nH]2)c2ccccc2)c1N.
What is the InChIKey of 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is MSKUSTBWIDERPU-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24ClN7/c27-18-9-6-15(7-10-18)17-8-11-21-22(12-17)32-24(31-21)14-19(16-4-2-1-3-5-16)20-13-23(28)33-26(34-30)25(20)29/h1-13,19H,14,29-30H2,(H,31,32)(H3,28,33,34)/t19-/m1/s1.
What are the key properties of 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine?
4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 469.98 g/mol, XLogP of 5.10, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-[6-(4-chlorophenyl)-1H-benzimidazol-2-yl]-1-phenylethyl]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 155113001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).