1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine

C27H25N5 — CID 58884525

IUPAC1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
SMILESCc1nn(C)c(C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C27H25N5/c1-18-25(19(2)32(4)30-18)28-17-24-29-26-22(20-11-7-5-8-12-20)15-16-23(27(26)31(24)3)21-13-9-6-10-14-21/h5-17H,1-4H3/b28-17+
InChIKeyKEEHJOUPQPOAJW-OGLMXYFKSA-N
MW419.53 g/mol
LogP6.01
Rot. Bonds4

About 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine

1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine (PubChem CID 58884525) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
PubChem CID58884525
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC Name1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
SMILESCc1nn(C)c(C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C27H25N5/c1-18-25(19(2)32(4)30-18)28-17-24-29-26-22(20-11-7-5-8-12-20)15-16-23(27(26)31(24)3)21-13-9-6-10-14-21/h5-17H,1-4H3/b28-17+
InChIKeyKEEHJOUPQPOAJW-OGLMXYFKSA-N
XLogP6.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.01
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-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine?
The IUPAC name of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine (CID 58884525) is 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine.
What is the SMILES notation for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine?
The canonical SMILES for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine is Cc1nn(C)c(C)c1/N=C/c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C.
What is the InChIKey of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine?
The InChIKey is KEEHJOUPQPOAJW-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H25N5/c1-18-25(19(2)32(4)30-18)28-17-24-29-26-22(20-11-7-5-8-12-20)15-16-23(27(26)31(24)3)21-13-9-6-10-14-21/h5-17H,1-4H3/b28-17+.
What are the key properties of 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine?
1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine has a molecular weight of 419.53 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine is sourced from PubChem (CID 58884525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).