(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone

C24H23N3O — CID 12503430

IUPAC(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone
SMILESCN1CCN(C(=O)c2ccccc2)/C1=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-26-17-18-27(23(28)21-15-9-4-10-16-21)24(26)25-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/b25-24+
InChIKeyYJWREXPJXYTJEJ-OCOZRVBESA-N
MW369.47 g/mol
LogP4.22
Rot. Bonds4

About (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone

(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone (PubChem CID 12503430) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone
PubChem CID12503430
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone
SMILESCN1CCN(C(=O)c2ccccc2)/C1=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-26-17-18-27(23(28)21-15-9-4-10-16-21)24(26)25-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/b25-24+
InChIKeyYJWREXPJXYTJEJ-OCOZRVBESA-N
XLogP4.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone?
The IUPAC name of (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone (CID 12503430) is (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone?
The canonical SMILES for (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone is CN1CCN(C(=O)c2ccccc2)/C1=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone?
The InChIKey is YJWREXPJXYTJEJ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H23N3O/c1-26-17-18-27(23(28)21-15-9-4-10-16-21)24(26)25-22(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,22H,17-18H2,1H3/b25-24+.
What are the key properties of (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone?
(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone has a molecular weight of 369.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone is sourced from PubChem (CID 12503430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).