1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine

C30H25N5 — CID 40884173

IUPAC1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
SMILESCn1c(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C30H25N5/c1-34-28-15-9-8-14-26(28)32-30(34)31-21-22-16-18-25(19-17-22)35-29(24-12-6-3-7-13-24)20-27(33-35)23-10-4-2-5-11-23/h2-19,21,29H,20H2,1H3/t29-/m1/s1
InChIKeyDRAYNMOIONXFKQ-GDLZYMKVSA-N
MW455.57 g/mol
LogP6.68
Rot. Bonds5

About 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine

1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine (PubChem CID 40884173) has the molecular formula C30H25N5 and a molecular weight of 455.57 g/mol. Its IUPAC name is 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine.

Molecular Properties

Compound Name1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
PubChem CID40884173
Molecular FormulaC30H25N5
Molecular Weight455.57 g/mol
Exact Mass455.21
IUPAC Name1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine
SMILESCn1c(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C30H25N5/c1-34-28-15-9-8-14-26(28)32-30(34)31-21-22-16-18-25(19-17-22)35-29(24-12-6-3-7-13-24)20-27(33-35)23-10-4-2-5-11-23/h2-19,21,29H,20H2,1H3/t29-/m1/s1
InChIKeyDRAYNMOIONXFKQ-GDLZYMKVSA-N
XLogP6.68
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine?
The IUPAC name of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine (CID 40884173) is 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine.
What is the SMILES notation for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine?
The canonical SMILES for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine is Cn1c(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine?
The InChIKey is DRAYNMOIONXFKQ-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H25N5/c1-34-28-15-9-8-14-26(28)32-30(34)31-21-22-16-18-25(19-17-22)35-29(24-12-6-3-7-13-24)20-27(33-35)23-10-4-2-5-11-23/h2-19,21,29H,20H2,1H3/t29-/m1/s1.
What are the key properties of 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine?
1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine has a molecular weight of 455.57 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1-methylbenzimidazol-2-yl)methanimine is sourced from PubChem (CID 40884173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).