2-benzylidene-1,3-dimethylbenzimidazole

C16H16N2 — CID 58612598

IUPAC2-benzylidene-1,3-dimethylbenzimidazole
SMILESCN1C(=Cc2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C16H16N2/c1-17-14-10-6-7-11-15(14)18(2)16(17)12-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyHDVDTSMTPJBNOV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.57
Rot. Bonds1

About 2-benzylidene-1,3-dimethylbenzimidazole

2-benzylidene-1,3-dimethylbenzimidazole (PubChem CID 58612598) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-benzylidene-1,3-dimethylbenzimidazole.

Molecular Properties

Compound Name2-benzylidene-1,3-dimethylbenzimidazole
PubChem CID58612598
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-benzylidene-1,3-dimethylbenzimidazole
SMILESCN1C(=Cc2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C16H16N2/c1-17-14-10-6-7-11-15(14)18(2)16(17)12-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyHDVDTSMTPJBNOV-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-1,3-dimethylbenzimidazole?
The IUPAC name of 2-benzylidene-1,3-dimethylbenzimidazole (CID 58612598) is 2-benzylidene-1,3-dimethylbenzimidazole.
What is the SMILES notation for 2-benzylidene-1,3-dimethylbenzimidazole?
The canonical SMILES for 2-benzylidene-1,3-dimethylbenzimidazole is CN1C(=Cc2ccccc2)N(C)c2ccccc21.
What is the InChIKey of 2-benzylidene-1,3-dimethylbenzimidazole?
The InChIKey is HDVDTSMTPJBNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-17-14-10-6-7-11-15(14)18(2)16(17)12-13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of 2-benzylidene-1,3-dimethylbenzimidazole?
2-benzylidene-1,3-dimethylbenzimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-1,3-dimethylbenzimidazole is sourced from PubChem (CID 58612598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).