4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide

C32H32N6O — CID 59849342

IUPAC4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccc1
InChIInChI=1S/C32H32N6O/c1-37(26-11-3-2-4-12-26)36-32(39)25-18-16-23(17-19-25)21-38(22-30-34-27-13-5-6-14-28(27)35-30)29-15-7-9-24-10-8-20-33-31(24)29/h2-6,8,10-14,16-20,29H,7,9,15,21-22H2,1H3,(H,34,35)(H,36,39)
InChIKeyYIQGCJGHGSWYSG-UHFFFAOYSA-N
MW516.65 g/mol
LogP5.82
Rot. Bonds8

About 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide

4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide (PubChem CID 59849342) has the molecular formula C32H32N6O and a molecular weight of 516.65 g/mol. Its IUPAC name is 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide
PubChem CID59849342
Molecular FormulaC32H32N6O
Molecular Weight516.65 g/mol
Exact Mass516.26
IUPAC Name4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide
SMILESCN(NC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccc1
InChIInChI=1S/C32H32N6O/c1-37(26-11-3-2-4-12-26)36-32(39)25-18-16-23(17-19-25)21-38(22-30-34-27-13-5-6-14-28(27)35-30)29-15-7-9-24-10-8-20-33-31(24)29/h2-6,8,10-14,16-20,29H,7,9,15,21-22H2,1H3,(H,34,35)(H,36,39)
InChIKeyYIQGCJGHGSWYSG-UHFFFAOYSA-N
XLogP5.82
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide?
The IUPAC name of 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide (CID 59849342) is 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide?
The canonical SMILES for 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide is CN(NC(=O)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1)c1ccccc1.
What is the InChIKey of 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide?
The InChIKey is YIQGCJGHGSWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O/c1-37(26-11-3-2-4-12-26)36-32(39)25-18-16-23(17-19-25)21-38(22-30-34-27-13-5-6-14-28(27)35-30)29-15-7-9-24-10-8-20-33-31(24)29/h2-6,8,10-14,16-20,29H,7,9,15,21-22H2,1H3,(H,34,35)(H,36,39).
What are the key properties of 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide?
4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide has a molecular weight of 516.65 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N'-methyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 59849342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).