4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole

C19H16N2 — CID 67635510

IUPAC4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
SMILESCc1c(C)c2nc(-c3ccccc3)[nH]c2c2ccccc12
InChIInChI=1S/C19H16N2/c1-12-13(2)17-18(16-11-7-6-10-15(12)16)21-19(20-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,21)
InChIKeyUCKLMQQIITYDQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.00
Rot. Bonds1

About 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole

4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole (PubChem CID 67635510) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
PubChem CID67635510
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
SMILESCc1c(C)c2nc(-c3ccccc3)[nH]c2c2ccccc12
InChIInChI=1S/C19H16N2/c1-12-13(2)17-18(16-11-7-6-10-15(12)16)21-19(20-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,21)
InChIKeyUCKLMQQIITYDQI-UHFFFAOYSA-N
XLogP5.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole?
The IUPAC name of 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole (CID 67635510) is 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole is Cc1c(C)c2nc(-c3ccccc3)[nH]c2c2ccccc12.
What is the InChIKey of 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole?
The InChIKey is UCKLMQQIITYDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-13(2)17-18(16-11-7-6-10-15(12)16)21-19(20-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole?
4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole is sourced from PubChem (CID 67635510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).