1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine

C19H20N4 — CID 58884452

IUPAC1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
SMILESCn1c(/C=N/c2ccccc2N2CCCC2)nc2ccccc21
InChIInChI=1S/C19H20N4/c1-22-17-10-4-3-9-16(17)21-19(22)14-20-15-8-2-5-11-18(15)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3/b20-14+
InChIKeyZGHOKQSVUNIQKS-XSFVSMFZSA-N
MW304.40 g/mol
LogP3.92
Rot. Bonds3

About 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine

1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 58884452) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
PubChem CID58884452
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
SMILESCn1c(/C=N/c2ccccc2N2CCCC2)nc2ccccc21
InChIInChI=1S/C19H20N4/c1-22-17-10-4-3-9-16(17)21-19(22)14-20-15-8-2-5-11-18(15)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3/b20-14+
InChIKeyZGHOKQSVUNIQKS-XSFVSMFZSA-N
XLogP3.92
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine (CID 58884452) is 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine is Cn1c(/C=N/c2ccccc2N2CCCC2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is ZGHOKQSVUNIQKS-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-17-10-4-3-9-16(17)21-19(22)14-20-15-8-2-5-11-18(15)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3/b20-14+.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine?
1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 304.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 58884452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).