5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole

C16H15N3 — CID 7312407

IUPAC5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole
SMILESCc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C
InChIInChI=1S/C16H15N3/c1-11-8-14-15(9-12(11)2)19-16(18-14)6-5-13-4-3-7-17-10-13/h3-10H,1-2H3,(H,18,19)/b6-5+
InChIKeyHBVOFLLJSMHEQA-AATRIKPKSA-N
MW249.32 g/mol
LogP3.75
Rot. Bonds2

About 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole

5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole (PubChem CID 7312407) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole
PubChem CID7312407
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole
SMILESCc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C
InChIInChI=1S/C16H15N3/c1-11-8-14-15(9-12(11)2)19-16(18-14)6-5-13-4-3-7-17-10-13/h3-10H,1-2H3,(H,18,19)/b6-5+
InChIKeyHBVOFLLJSMHEQA-AATRIKPKSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole (CID 7312407) is 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole is Cc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole?
The InChIKey is HBVOFLLJSMHEQA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-8-14-15(9-12(11)2)19-16(18-14)6-5-13-4-3-7-17-10-13/h3-10H,1-2H3,(H,18,19)/b6-5+.
What are the key properties of 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole?
5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole has a molecular weight of 249.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole is sourced from PubChem (CID 7312407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).