1,3-dibenzylbenzimidazol-2-imine

C21H19N3 — CID 827991

IUPAC1,3-dibenzylbenzimidazol-2-imine
SMILES[H]N=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(21)16-18-11-5-2-6-12-18/h1-14,22H,15-16H2
InChIKeyVIEAOLWFSGPFFM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.02
Rot. Bonds4

About 1,3-dibenzylbenzimidazol-2-imine

1,3-dibenzylbenzimidazol-2-imine (PubChem CID 827991) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1,3-dibenzylbenzimidazol-2-imine.

Molecular Properties

Compound Name1,3-dibenzylbenzimidazol-2-imine
PubChem CID827991
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1,3-dibenzylbenzimidazol-2-imine
SMILES[H]N=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H19N3/c22-21-23(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(21)16-18-11-5-2-6-12-18/h1-14,22H,15-16H2
InChIKeyVIEAOLWFSGPFFM-UHFFFAOYSA-N
XLogP4.02
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylbenzimidazol-2-imine?
The IUPAC name of 1,3-dibenzylbenzimidazol-2-imine (CID 827991) is 1,3-dibenzylbenzimidazol-2-imine.
What is the SMILES notation for 1,3-dibenzylbenzimidazol-2-imine?
The canonical SMILES for 1,3-dibenzylbenzimidazol-2-imine is [H]N=c1n(Cc2ccccc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylbenzimidazol-2-imine?
The InChIKey is VIEAOLWFSGPFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c22-21-23(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)24(21)16-18-11-5-2-6-12-18/h1-14,22H,15-16H2.
What are the key properties of 1,3-dibenzylbenzimidazol-2-imine?
1,3-dibenzylbenzimidazol-2-imine has a molecular weight of 313.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylbenzimidazol-2-imine is sourced from PubChem (CID 827991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).