2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride

C17H18ClN3 — CID 22736743

IUPAC2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
SMILESCC(C)/C=C/c1nc2ccccc2n1-c1ccccn1.Cl
InChIInChI=1S/C17H17N3.ClH/c1-13(2)10-11-17-19-14-7-3-4-8-15(14)20(17)16-9-5-6-12-18-16;/h3-13H,1-2H3;1H/b11-10+;
InChIKeyRCWSRJCUTACQAO-ASTDGNLGSA-N
MW299.81 g/mol
LogP4.51
Rot. Bonds3

About 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride

2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride (PubChem CID 22736743) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
PubChem CID22736743
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride
SMILESCC(C)/C=C/c1nc2ccccc2n1-c1ccccn1.Cl
InChIInChI=1S/C17H17N3.ClH/c1-13(2)10-11-17-19-14-7-3-4-8-15(14)20(17)16-9-5-6-12-18-16;/h3-13H,1-2H3;1H/b11-10+;
InChIKeyRCWSRJCUTACQAO-ASTDGNLGSA-N
XLogP4.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride (CID 22736743) is 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride is CC(C)/C=C/c1nc2ccccc2n1-c1ccccn1.Cl.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
The InChIKey is RCWSRJCUTACQAO-ASTDGNLGSA-N. The full InChI is InChI=1S/C17H17N3.ClH/c1-13(2)10-11-17-19-14-7-3-4-8-15(14)20(17)16-9-5-6-12-18-16;/h3-13H,1-2H3;1H/b11-10+;.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride?
2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]-1-pyridin-2-ylbenzimidazole;hydrochloride is sourced from PubChem (CID 22736743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).