1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine

C27H21N3 — CID 58884492

IUPAC1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine
SMILESCn1c(/C=N/c2ccccc2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C27H21N3/c1-30-25(19-28-22-15-9-4-10-16-22)29-26-23(20-11-5-2-6-12-20)17-18-24(27(26)30)21-13-7-3-8-14-21/h2-19H,1H3/b28-19+
InChIKeyXUWXMEGZXHJFDJ-TURZUDJPSA-N
MW387.49 g/mol
LogP6.66
Rot. Bonds4

About 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine

1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine (PubChem CID 58884492) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine
PubChem CID58884492
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine
SMILESCn1c(/C=N/c2ccccc2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21
InChIInChI=1S/C27H21N3/c1-30-25(19-28-22-15-9-4-10-16-22)29-26-23(20-11-5-2-6-12-20)17-18-24(27(26)30)21-13-7-3-8-14-21/h2-19H,1H3/b28-19+
InChIKeyXUWXMEGZXHJFDJ-TURZUDJPSA-N
XLogP6.66
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine?
The IUPAC name of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine (CID 58884492) is 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine.
What is the SMILES notation for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine?
The canonical SMILES for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine is Cn1c(/C=N/c2ccccc2)nc2c(-c3ccccc3)ccc(-c3ccccc3)c21.
What is the InChIKey of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine?
The InChIKey is XUWXMEGZXHJFDJ-TURZUDJPSA-N. The full InChI is InChI=1S/C27H21N3/c1-30-25(19-28-22-15-9-4-10-16-22)29-26-23(20-11-5-2-6-12-20)17-18-24(27(26)30)21-13-7-3-8-14-21/h2-19H,1H3/b28-19+.
What are the key properties of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine?
1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine has a molecular weight of 387.49 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-phenylmethanimine is sourced from PubChem (CID 58884492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).